N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

C21H20N2O4S2 — CID 78869372

IUPACN-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C21H20N2O4S2/c24-18-13-16(23-29(26,27)19-7-4-12-28-19)10-11-17(18)21(25)22-20(15-8-9-15)14-5-2-1-3-6-14/h1-7,10-13,15,20,23-24H,8-9H2,(H,22,25)
InChIKeySACMPHNVOCGONW-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.14
Rot. Bonds7

About N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide

N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 78869372) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID78869372
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC NameN-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(NC(c1ccccc1)C1CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O
InChIInChI=1S/C21H20N2O4S2/c24-18-13-16(23-29(26,27)19-7-4-12-28-19)10-11-17(18)21(25)22-20(15-8-9-15)14-5-2-1-3-6-14/h1-7,10-13,15,20,23-24H,8-9H2,(H,22,25)
InChIKeySACMPHNVOCGONW-UHFFFAOYSA-N
XLogP4.14
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 86980610
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 78847493
2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 167928414
N-benzyl-2-hydroxy-N-methyl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78847492
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78868137
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-hydroxy-N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 112821205
N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
CID 78869056
[2-oxo-2-(4-phenylphenyl)ethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 25042549

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide (CID 78869372) is N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is O=C(NC(c1ccccc1)C1CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is SACMPHNVOCGONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c24-18-13-16(23-29(26,27)19-7-4-12-28-19)10-11-17(18)21(25)22-20(15-8-9-15)14-5-2-1-3-6-14/h1-7,10-13,15,20,23-24H,8-9H2,(H,22,25).
What are the key properties of N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide?
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 428.54 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 78869372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).