2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C27H25N3O5S — CID 1316030

IUPAC2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H25N3O5S/c1-20-10-5-8-16-25(20)30(36(33,34)22-12-3-2-4-13-22)19-26(31)29-24-15-7-6-14-23(24)27(32)28-18-21-11-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyPVJKJZYVTLWUOB-UHFFFAOYSA-N
MW503.58 g/mol
LogP4.35
Rot. Bonds9

About 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1316030) has the molecular formula C27H25N3O5S and a molecular weight of 503.58 g/mol. Its IUPAC name is 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1316030
Molecular FormulaC27H25N3O5S
Molecular Weight503.58 g/mol
Exact Mass503.15
IUPAC Name2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C27H25N3O5S/c1-20-10-5-8-16-25(20)30(36(33,34)22-12-3-2-4-13-22)19-26(31)29-24-15-7-6-14-23(24)27(32)28-18-21-11-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,32)(H,29,31)
InChIKeyPVJKJZYVTLWUOB-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 1316030) is 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is Cc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is PVJKJZYVTLWUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5S/c1-20-10-5-8-16-25(20)30(36(33,34)22-12-3-2-4-13-22)19-26(31)29-24-15-7-6-14-23(24)27(32)28-18-21-11-9-17-35-21/h2-17H,18-19H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 503.58 g/mol, XLogP of 4.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[N-(benzenesulfonyl)-2-methylanilino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1316030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).