5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide

C21H22N4O4S2 — CID 148551062

IUPAC5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cccc(C2=NCC=C2)c1
InChIInChI=1S/C21H22N4O4S2/c22-19(26)16-13-18(31(28,29)25-10-2-1-3-11-25)30-21(16)24-20(27)15-7-4-6-14(12-15)17-8-5-9-23-17/h4-8,12-13H,1-3,9-11H2,(H2,22,26)(H,24,27)
InChIKeyMTDTZLKNPVAULQ-UHFFFAOYSA-N
MW458.57 g/mol
LogP2.63
Rot. Bonds6

About 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide

5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide (PubChem CID 148551062) has the molecular formula C21H22N4O4S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide
PubChem CID148551062
Molecular FormulaC21H22N4O4S2
Molecular Weight458.57 g/mol
Exact Mass458.11
IUPAC Name5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cccc(C2=NCC=C2)c1
InChIInChI=1S/C21H22N4O4S2/c22-19(26)16-13-18(31(28,29)25-10-2-1-3-11-25)30-21(16)24-20(27)15-7-4-6-14(12-15)17-8-5-9-23-17/h4-8,12-13H,1-3,9-11H2,(H2,22,26)(H,24,27)
InChIKeyMTDTZLKNPVAULQ-UHFFFAOYSA-N
XLogP2.63
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide
CID 86567234
N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86567170
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
N-(2-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101498
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
3-(azepan-1-ylsulfonyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 24506376
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865489
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 16521918
3-piperidin-1-ylsulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 1101754
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(azepan-1-ylsulfonyl)benzamide
CID 24584483

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide (CID 148551062) is 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1cccc(C2=NCC=C2)c1.
What is the InChIKey of 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide?
The InChIKey is MTDTZLKNPVAULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2/c22-19(26)16-13-18(31(28,29)25-10-2-1-3-11-25)30-21(16)24-20(27)15-7-4-6-14(12-15)17-8-5-9-23-17/h4-8,12-13H,1-3,9-11H2,(H2,22,26)(H,24,27).
What are the key properties of 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide?
5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 148551062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).