2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide

C71H90F3N3O12S3 — CID 153389750

IUPAC2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide
SMILESCc1cc(C(C)(C)O)cc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)CCC(C)c2cc(F)cc(C(C)CCC(C)c3ccc(F)c(C(C)C)c3CC(=O)NS(=O)(=O)c3cccc(C(C)(C)O)c3)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2C)c1
InChIInChI=1S/C71H90F3N3O12S3/c1-40(2)55-33-50(72)34-56(59(55)37-65(78)76-91(86,87)53-30-42(5)29-49(32-53)70(13,14)82)44(7)25-26-46(9)58-36-51(73)35-57(60(58)38-66(79)77-92(88,89)64-22-18-21-62(47(64)10)71(15,16)83)45(8)24-23-43(6)54-27-28-63(74)68(41(3)4)61(54)39-67(80)75-90(84,85)52-20-17-19-48(31-52)69(11,12)81/h17-22,27-36,40-41,43-46,81-83H,23-26,37-39H2,1-16H3,(H,75,80)(H,76,78)(H,77,79)
InChIKeyPSGYAXCJHDNYHF-UHFFFAOYSA-N
MW1330.70 g/mol
LogP13.17
Rot. Bonds27

About 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide

2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide (PubChem CID 153389750) has the molecular formula C71H90F3N3O12S3 and a molecular weight of 1330.70 g/mol. Its IUPAC name is 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound Name2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide
PubChem CID153389750
Molecular FormulaC71H90F3N3O12S3
Molecular Weight1330.70 g/mol
Exact Mass1329.56
IUPAC Name2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide
SMILESCc1cc(C(C)(C)O)cc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)CCC(C)c2cc(F)cc(C(C)CCC(C)c3ccc(F)c(C(C)C)c3CC(=O)NS(=O)(=O)c3cccc(C(C)(C)O)c3)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2C)c1
InChIInChI=1S/C71H90F3N3O12S3/c1-40(2)55-33-50(72)34-56(59(55)37-65(78)76-91(86,87)53-30-42(5)29-49(32-53)70(13,14)82)44(7)25-26-46(9)58-36-51(73)35-57(60(58)38-66(79)77-92(88,89)64-22-18-21-62(47(64)10)71(15,16)83)45(8)24-23-43(6)54-27-28-63(74)68(41(3)4)61(54)39-67(80)75-90(84,85)52-20-17-19-48(31-52)69(11,12)81/h17-22,27-36,40-41,43-46,81-83H,23-26,37-39H2,1-16H3,(H,75,80)(H,76,78)(H,77,79)
InChIKeyPSGYAXCJHDNYHF-UHFFFAOYSA-N
XLogP13.17
TPSA250.41 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds27
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001330.70
LogP ≤ 513.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 138574785
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
CID 163479274
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
CID 153389582
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-cyano-2,6-di(propan-2-yl)phenyl]acetamide;N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[3-chloro-5-(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-cyano-2,6-di(propan-2-yl)phenyl]acetamide;2-[4-cyano-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)-5-phenylphenyl]sulfonylacetamide;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)-5-phenylphenyl]sulfonylacetamide;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)-5-pyridin-4-ylphenyl]sulfonylacetamide
CID 167617948
N-[3-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide
CID 155464142
N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-(2-fluoro-3-methylphenyl)-2,6-di(propan-2-yl)phenyl]acetamide
CID 166008136
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-5-methylthiophen-2-yl]sulfanylacetamide
CID 167253887
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)phenyl]sulfanylacetamide
CID 145387580
4-[[2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetyl]sulfamoyl]-N,3-dimethylbenzamide
CID 155464125
2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)-1-methylpyrazol-5-yl]sulfonylacetamide
CID 155463998
benzenesulfonamide;N-(benzenesulfonyl)-2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;2-[4-fluoro-2-(2-methoxy-4-pyridinyl)-6-propan-2-ylphenyl]acetic acid
CID 159403926

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide?
The IUPAC name of 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide (CID 153389750) is 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide?
The canonical SMILES for 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide is Cc1cc(C(C)(C)O)cc(S(=O)(=O)NC(=O)Cc2c(C(C)C)cc(F)cc2C(C)CCC(C)c2cc(F)cc(C(C)CCC(C)c3ccc(F)c(C(C)C)c3CC(=O)NS(=O)(=O)c3cccc(C(C)(C)O)c3)c2CC(=O)NS(=O)(=O)c2cccc(C(C)(C)O)c2C)c1.
What is the InChIKey of 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide?
The InChIKey is PSGYAXCJHDNYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H90F3N3O12S3/c1-40(2)55-33-50(72)34-56(59(55)37-65(78)76-91(86,87)53-30-42(5)29-49(32-53)70(13,14)82)44(7)25-26-46(9)58-36-51(73)35-57(60(58)38-66(79)77-92(88,89)64-22-18-21-62(47(64)10)71(15,16)83)45(8)24-23-43(6)54-27-28-63(74)68(41(3)4)61(54)39-67(80)75-90(84,85)52-20-17-19-48(31-52)69(11,12)81/h17-22,27-36,40-41,43-46,81-83H,23-26,37-39H2,1-16H3,(H,75,80)(H,76,78)(H,77,79).
What are the key properties of 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide?
2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide has a molecular weight of 1330.70 g/mol, XLogP of 13.17, 27 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 153389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).