N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

C23H20FN3O4S2 — CID 60548500

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4S2/c1-31-22-11-8-17(14-20(22)26-33(29,30)19-9-6-16(24)7-10-19)25-23(28)21-5-2-12-27(21)15-18-4-3-13-32-18/h2-14,26H,15H2,1H3,(H,25,28)
InChIKeyKPTDMCKFVMGCHK-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.80
Rot. Bonds8

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 60548500) has the molecular formula C23H20FN3O4S2 and a molecular weight of 485.56 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID60548500
Molecular FormulaC23H20FN3O4S2
Molecular Weight485.56 g/mol
Exact Mass485.09
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C23H20FN3O4S2/c1-31-22-11-8-17(14-20(22)26-33(29,30)19-9-6-16(24)7-10-19)25-23(28)21-5-2-12-27(21)15-18-4-3-13-32-18/h2-14,26H,15H2,1H3,(H,25,28)
InChIKeyKPTDMCKFVMGCHK-UHFFFAOYSA-N
XLogP4.80
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 17422707
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-phenoxyacetamide
CID 2451011
N-[3-(thiophene-2-carbonylamino)phenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55930290
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 55922726
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide (CID 60548500) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is COc1ccc(NC(=O)c2cccn2Cc2cccs2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is KPTDMCKFVMGCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O4S2/c1-31-22-11-8-17(14-20(22)26-33(29,30)19-9-6-16(24)7-10-19)25-23(28)21-5-2-12-27(21)15-18-4-3-13-32-18/h2-14,26H,15H2,1H3,(H,25,28).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 485.56 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-(thiophen-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 60548500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).