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

C22H23N3O4S2 — CID 3911764

IUPACN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCC1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-8-3-2-7-17(19)24-31(27,28)21-15-16(23-22(26)20-9-6-14-30-20)10-11-18(21)25-12-4-5-13-25/h2-3,6-11,14-15,24H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyLZWJUZOSDHMKHT-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.41
Rot. Bonds7

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

N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 3911764) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID3911764
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCC1
InChIInChI=1S/C22H23N3O4S2/c1-29-19-8-3-2-7-17(19)24-31(27,28)21-15-16(23-22(26)20-9-6-14-30-20)10-11-18(21)25-12-4-5-13-25/h2-3,6-11,14-15,24H,4-5,12-13H2,1H3,(H,23,26)
InChIKeyLZWJUZOSDHMKHT-UHFFFAOYSA-N
XLogP4.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.41
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

Gsk0660
CID 46233311
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-[(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
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-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4020149
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4377135

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (CID 3911764) is N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cccs2)ccc1N1CCCC1.
What is the InChIKey of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is LZWJUZOSDHMKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-19-8-3-2-7-17(19)24-31(27,28)21-15-16(23-22(26)20-9-6-14-30-20)10-11-18(21)25-12-4-5-13-25/h2-3,6-11,14-15,24H,4-5,12-13H2,1H3,(H,23,26).
What are the key properties of N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.41, 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]thiophene-2-carboxamide is sourced from PubChem (CID 3911764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).