N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide

C27H39NO5S — CID 163479274

IUPACN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)cc(C(C)(C)O)c2)c(C(C)C)c1
InChIInChI=1S/C27H39NO5S/c1-16(2)22-10-18(5)11-23(17(3)4)24(22)15-25(29)28-34(32,33)21-13-19(26(6,7)30)12-20(14-21)27(8,9)31/h10-14,16-17,30-31H,15H2,1-9H3,(H,28,29)
InChIKeyDTTVSOYRRANUAP-UHFFFAOYSA-N
MW489.68 g/mol
LogP4.74
Rot. Bonds8

About N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide

N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 163479274) has the molecular formula C27H39NO5S and a molecular weight of 489.68 g/mol. Its IUPAC name is N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID163479274
Molecular FormulaC27H39NO5S
Molecular Weight489.68 g/mol
Exact Mass489.25
IUPAC NameN-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide
SMILESCc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)cc(C(C)(C)O)c2)c(C(C)C)c1
InChIInChI=1S/C27H39NO5S/c1-16(2)22-10-18(5)11-23(17(3)4)24(22)15-25(29)28-34(32,33)21-13-19(26(6,7)30)12-20(14-21)27(8,9)31/h10-14,16-17,30-31H,15H2,1-9H3,(H,28,29)
InChIKeyDTTVSOYRRANUAP-UHFFFAOYSA-N
XLogP4.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.68
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
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
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
1-[3-(2-hydroxypropan-2-yl)-5-morpholin-4-ylphenyl]sulfonyl-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 158301243
2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetic acid
CID 137459361
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-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
2-[3,5-di(propan-2-yl)-4-pyridinyl]-N-[[4-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]acetamide
CID 153389913
acetic acid;2-[4-bromo-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfonylacetamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;palladium;tributyl(methyl)stannane
CID 167567562
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256
2-[4-cyano-3-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[3-(2-hydroxypropan-2-yl)-1,2-oxazol-5-yl]sulfonyl]acetamide
CID 166048001
N-(3,5-dimethoxyphenyl)sulfonyl-2-(4-methylphenyl)acetamide
CID 166234668

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide (CID 163479274) is N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide is Cc1cc(C(C)C)c(CC(=O)NS(=O)(=O)c2cc(C(C)(C)O)cc(C(C)(C)O)c2)c(C(C)C)c1.
What is the InChIKey of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is DTTVSOYRRANUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO5S/c1-16(2)22-10-18(5)11-23(17(3)4)24(22)15-25(29)28-34(32,33)21-13-19(26(6,7)30)12-20(14-21)27(8,9)31/h10-14,16-17,30-31H,15H2,1-9H3,(H,28,29).
What are the key properties of N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide?
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 489.68 g/mol, XLogP of 4.74, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 163479274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).