N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C22H21N3O4S2 — CID 17440704

IUPACN-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H21N3O4S2/c26-21(16-5-7-17(8-6-16)24-22(27)20-4-3-15-30-20)23-18-9-11-19(12-10-18)31(28,29)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2,(H,23,26)(H,24,27)
InChIKeyCNHCZVKTSKNWOS-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 17440704) has the molecular formula C22H21N3O4S2 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID17440704
Molecular FormulaC22H21N3O4S2
Molecular Weight455.56 g/mol
Exact Mass455.10
IUPAC NameN-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1
InChIInChI=1S/C22H21N3O4S2/c26-21(16-5-7-17(8-6-16)24-22(27)20-4-3-15-30-20)23-18-9-11-19(12-10-18)31(28,29)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2,(H,23,26)(H,24,27)
InChIKeyCNHCZVKTSKNWOS-UHFFFAOYSA-N
XLogP4.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55375941
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
N-[4-(piperidin-1-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9272074
N-(4-acetylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 650028
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
[4-(thiophene-2-carbonylamino)phenyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate
CID 31842656
N-(4-bromophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385831
[4-(thiophene-2-carbonylamino)phenyl] 1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylate
CID 55630348

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 17440704) is N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CNHCZVKTSKNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S2/c26-21(16-5-7-17(8-6-16)24-22(27)20-4-3-15-30-20)23-18-9-11-19(12-10-18)31(28,29)25-13-1-2-14-25/h3-12,15H,1-2,13-14H2,(H,23,26)(H,24,27).
What are the key properties of N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 17440704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).