N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

C24H26F2N2O4S — CID 3690064

IUPACN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(C)C)S(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C24H26F2N2O4S/c1-17(2)28(33(30,31)23-12-9-21(26)10-13-23)16-24(29)27(15-22-11-4-18(3)32-22)14-19-5-7-20(25)8-6-19/h4-13,17H,14-16H2,1-3H3
InChIKeyRESSCNPBGPSVCN-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.49
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 3690064) has the molecular formula C24H26F2N2O4S and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID3690064
Molecular FormulaC24H26F2N2O4S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(C)C)S(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C24H26F2N2O4S/c1-17(2)28(33(30,31)23-12-9-21(26)10-13-23)16-24(29)27(15-22-11-4-18(3)32-22)14-19-5-7-20(25)8-6-19/h4-13,17H,14-16H2,1-3H3
InChIKeyRESSCNPBGPSVCN-UHFFFAOYSA-N
XLogP4.49
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 3690064) is N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C(C)C)S(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is RESSCNPBGPSVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4S/c1-17(2)28(33(30,31)23-12-9-21(26)10-13-23)16-24(29)27(15-22-11-4-18(3)32-22)14-19-5-7-20(25)8-6-19/h4-13,17H,14-16H2,1-3H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 476.55 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 3690064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).