N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide

C23H25N3O4S2 — CID 4983871

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-9-4-3-8-18(20)25-32(28,29)22-16-17(24-23(27)21-10-7-15-31-21)11-12-19(22)26-13-5-2-6-14-26/h3-4,7-12,15-16,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyKOPMQIAUVSHJAW-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.80
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 4983871) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID4983871
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1
InChIInChI=1S/C23H25N3O4S2/c1-30-20-9-4-3-8-18(20)25-32(28,29)22-16-17(24-23(27)21-10-7-15-31-21)11-12-19(22)26-13-5-2-6-14-26/h3-4,7-12,15-16,25H,2,5-6,13-14H2,1H3,(H,24,27)
InChIKeyKOPMQIAUVSHJAW-UHFFFAOYSA-N
XLogP4.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 15945391
Gsk0660
CID 46233311
Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]thiophene-2-carboxamide
CID 10617524
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
CID 2571814
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 3307112
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]-2-methylpropanamide
CID 3310880
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3381484
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide
CID 3457783
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 3600197
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 3890178

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide (CID 4983871) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is KOPMQIAUVSHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-30-20-9-4-3-8-18(20)25-32(28,29)22-16-17(24-23(27)21-10-7-15-31-21)11-12-19(22)26-13-5-2-6-14-26/h3-4,7-12,15-16,25H,2,5-6,13-14H2,1H3,(H,24,27).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-piperidin-1-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 4983871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).