N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

C17H20N2O4S2 — CID 78847493

IUPACN-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCC1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1
InChIInChI=1S/C17H20N2O4S2/c1-12-4-2-8-19(11-12)17(21)14-7-6-13(10-15(14)20)18-25(22,23)16-5-3-9-24-16/h3,5-7,9-10,12,18,20H,2,4,8,11H2,1H3
InChIKeyKAGWOIGEZCUYBL-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.13
Rot. Bonds4

About N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide

N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (PubChem CID 78847493) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
PubChem CID78847493
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC NameN-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
SMILESCC1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1
InChIInChI=1S/C17H20N2O4S2/c1-12-4-2-8-19(11-12)17(21)14-7-6-13(10-15(14)20)18-25(22,23)16-5-3-9-24-16/h3,5-7,9-10,12,18,20H,2,4,8,11H2,1H3
InChIKeyKAGWOIGEZCUYBL-UHFFFAOYSA-N
XLogP3.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzoate
CID 41305756
N-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]-3-hydroxyphenyl]thiophene-2-sulfonamide
CID 78869056
2-hydroxy-N-(2-methylcyclohexyl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867639
N-[4-chloro-3-[(3S)-3-methylpiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 99956462
2-hydroxy-N-pentan-3-yl-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78867915
N-[cyclopropyl(phenyl)methyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 78869372
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
[2-(azepan-1-yl)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate
CID 25045245
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
2-hydroxy-N-(1-methyl-2-oxoquinolin-7-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 167928414
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
N-[1-(furan-2-yl)ethyl]-2-hydroxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 86980610

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide (CID 78847493) is N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is CC1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1.
What is the InChIKey of N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is KAGWOIGEZCUYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-12-4-2-8-19(11-12)17(21)14-7-6-13(10-15(14)20)18-25(22,23)16-5-3-9-24-16/h3,5-7,9-10,12,18,20H,2,4,8,11H2,1H3.
What are the key properties of N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide?
N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(3-methylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 78847493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).