2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

C27H25N3O5S — CID 1295601

IUPAC2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H25N3O5S/c1-36(33,34)30(19-20-10-3-2-4-11-20)25-16-8-6-14-23(25)27(32)29-24-15-7-5-13-22(24)26(31)28-18-21-12-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyWDYZVOTZXOSLSR-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.43
Rot. Bonds9

About 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1295601) has the molecular formula C27H25N3O5S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1295601
Molecular FormulaC27H25N3O5S
Molecular Weight503.58 g/mol
Exact Mass503.15
IUPAC Name2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C27H25N3O5S/c1-36(33,34)30(19-20-10-3-2-4-11-20)25-16-8-6-14-23(25)27(32)29-24-15-7-5-13-22(24)26(31)28-18-21-12-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyWDYZVOTZXOSLSR-UHFFFAOYSA-N
XLogP4.43
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 1295601) is 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WDYZVOTZXOSLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S/c1-36(33,34)30(19-20-10-3-2-4-11-20)25-16-8-6-14-23(25)27(32)29-24-15-7-5-13-22(24)26(31)28-18-21-12-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 503.58 g/mol, XLogP of 4.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(methylsulfonyl)amino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1295601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).