1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

C20H23ClN2O3S2 — CID 1452394

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C20H23ClN2O3S2/c21-16-3-7-19(8-4-16)28(25,26)22-11-9-15(10-12-22)20(24)23(17-5-6-17)14-18-2-1-13-27-18/h1-4,7-8,13,15,17H,5-6,9-12,14H2
InChIKeyDJPQUXXCYGTONO-UHFFFAOYSA-N
MW439.00 g/mol
LogP3.99
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 1452394) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
PubChem CID1452394
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1cccs1)C1CC1
InChIInChI=1S/C20H23ClN2O3S2/c21-16-3-7-19(8-4-16)28(25,26)22-11-9-15(10-12-22)20(24)23(17-5-6-17)14-18-2-1-13-27-18/h1-4,7-8,13,15,17H,5-6,9-12,14H2
InChIKeyDJPQUXXCYGTONO-UHFFFAOYSA-N
XLogP3.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 1452402
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 30902869
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3214808
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
1-(4-chlorophenyl)sulfonyl-N-cyclopentyl-N-ethylpiperidine-4-carboxamide
CID 134060795
N-cyclopropyl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 52571989
N-cyclopropyl-4-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)benzamide
CID 90496092
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27773929
1-(4-chlorophenyl)sulfonyl-N-ethyl-N-phenylpiperidine-4-carboxamide
CID 17473186
(4R)-N-cyclopropyl-1-methyl-2-oxo-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 94045823
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-4-carboxamide
CID 27670607

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide (CID 1452394) is 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N(Cc1cccs1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is DJPQUXXCYGTONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S2/c21-16-3-7-19(8-4-16)28(25,26)22-11-9-15(10-12-22)20(24)23(17-5-6-17)14-18-2-1-13-27-18/h1-4,7-8,13,15,17H,5-6,9-12,14H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 439.00 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1452394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).