N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide

C23H25N3O4S2 — CID 3457783

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
InChIInChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
InChIKeyQNGWMWHECGNBSS-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.72
Rot. Bonds7

About N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide (PubChem CID 3457783) has the molecular formula C23H25N3O4S2 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide
PubChem CID3457783
Molecular FormulaC23H25N3O4S2
Molecular Weight471.60 g/mol
Exact Mass471.13
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1
InChIInChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27)
InChIKeyQNGWMWHECGNBSS-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
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
N-(2-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)benzamide
CID 2329070
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-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3381484
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 3600197
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3911764
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 3918219
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]thiophene-2-carboxamide
CID 3932813
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
CID 3986122
N-[4-(diethylamino)-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 4010960
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4020149

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide (CID 3457783) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2sccc2C)ccc1N1CCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is QNGWMWHECGNBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S2/c1-16-11-14-31-22(16)23(27)24-17-9-10-19(26-12-5-6-13-26)21(15-17)32(28,29)25-18-7-3-4-8-20(18)30-2/h3-4,7-11,14-15,25H,5-6,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.72, 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-pyrrolidin-1-ylphenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 3457783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).