3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide

C18H20ClN3O4S2 — CID 38171192

IUPAC3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O4S2/c19-14-4-1-3-13(11-14)18(24)20-12-16(23)22-8-6-15(7-9-22)21-28(25,26)17-5-2-10-27-17/h1-5,10-11,15,21H,6-9,12H2,(H,20,24)
InChIKeyHXQJDWKAELZYOM-UHFFFAOYSA-N
MW441.96 g/mol
LogP2.10
Rot. Bonds6

About 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide

3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide (PubChem CID 38171192) has the molecular formula C18H20ClN3O4S2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
PubChem CID38171192
Molecular FormulaC18H20ClN3O4S2
Molecular Weight441.96 g/mol
Exact Mass441.06
IUPAC Name3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O4S2/c19-14-4-1-3-13(11-14)18(24)20-12-16(23)22-8-6-15(7-9-22)21-28(25,26)17-5-2-10-27-17/h1-5,10-11,15,21H,6-9,12H2,(H,20,24)
InChIKeyHXQJDWKAELZYOM-UHFFFAOYSA-N
XLogP2.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 39205864
N-[1-(4-aminobutanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119291200
N-[3-oxo-3-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]propyl]thiophene-3-carboxamide
CID 33172544
N-[1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 17482603
N-[1-[4-(aminomethyl)benzoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119291186
N-[1-[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 43059108
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 33173044
3-chloro-N-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55517345
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 119726760
4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]cubane-1-carboxamide
CID 166343391
N-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 41247049
1-[2-[(3-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 55397777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide (CID 38171192) is 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide is O=C(NCC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide?
The InChIKey is HXQJDWKAELZYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S2/c19-14-4-1-3-13(11-14)18(24)20-12-16(23)22-8-6-15(7-9-22)21-28(25,26)17-5-2-10-27-17/h1-5,10-11,15,21H,6-9,12H2,(H,20,24).
What are the key properties of 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide?
3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide has a molecular weight of 441.96 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-oxo-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 38171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).