2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide

C17H18ClN3O4S2 — CID 86567234

IUPAC2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O4S2/c18-12-6-4-11(5-7-12)16(23)20-17-13(15(19)22)10-14(26-17)27(24,25)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H2,19,22)(H,20,23)
InChIKeyVQXJZNBXYMUOEN-UHFFFAOYSA-N
MW427.94 g/mol
LogP2.93
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide

2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide (PubChem CID 86567234) has the molecular formula C17H18ClN3O4S2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide
PubChem CID86567234
Molecular FormulaC17H18ClN3O4S2
Molecular Weight427.94 g/mol
Exact Mass427.04
IUPAC Name2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O4S2/c18-12-6-4-11(5-7-12)16(23)20-17-13(15(19)22)10-14(26-17)27(24,25)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H2,19,22)(H,20,23)
InChIKeyVQXJZNBXYMUOEN-UHFFFAOYSA-N
XLogP2.93
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-5-piperidin-1-ylsulfonylthiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 86567170
5-piperidin-1-ylsulfonyl-2-[[3-(2H-pyrrol-5-yl)benzoyl]amino]thiophene-3-carboxamide
CID 148551062
2-[(2-fluorobenzoyl)amino]-5-(4-isocyanopiperidin-1-yl)sulfonylthiophene-3-carboxamide
CID 123560723
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
4-chloro-N-[5-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100510355
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N-(2-chlorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26575157
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 17308400
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide (CID 86567234) is 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide is NC(=O)c1cc(S(=O)(=O)N2CCCCC2)sc1NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide?
The InChIKey is VQXJZNBXYMUOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4S2/c18-12-6-4-11(5-7-12)16(23)20-17-13(15(19)22)10-14(26-17)27(24,25)21-8-2-1-3-9-21/h4-7,10H,1-3,8-9H2,(H2,19,22)(H,20,23).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide?
2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-5-piperidin-1-ylsulfonylthiophene-3-carboxamide is sourced from PubChem (CID 86567234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).