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

C22H23N3O4S2 — CID 3381484

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-18-9-6-16(7-10-18)24-31(27,28)21-15-17(23-22(26)20-5-4-14-30-20)8-11-19(21)25-12-2-3-13-25/h4-11,14-15,24H,2-3,12-13H2,1H3,(H,23,26)
InChIKeyOTLSGXUBILVHRU-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.41
Rot. Bonds7

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

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (PubChem CID 3381484) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
PubChem CID3381484
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)cc1
InChIInChI=1S/C22H23N3O4S2/c1-29-18-9-6-16(7-10-18)24-31(27,28)21-15-17(23-22(26)20-5-4-14-30-20)8-11-19(21)25-12-2-3-13-25/h4-11,14-15,24H,2-3,12-13H2,1H3,(H,23,26)
InChIKeyOTLSGXUBILVHRU-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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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide (CID 3381484) is N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
The InChIKey is OTLSGXUBILVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-18-9-6-16(7-10-18)24-31(27,28)21-15-17(23-22(26)20-5-4-14-30-20)8-11-19(21)25-12-2-3-13-25/h4-11,14-15,24H,2-3,12-13H2,1H3,(H,23,26).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide?
N-[3-[(4-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-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 3381484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).