N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C19H23ClN2O3S2 — CID 42940275

IUPACN-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C19H23ClN2O3S2/c1-13-8-9-18(26-13)27(24,25)22-10-4-6-16(12-22)19(23)21-14(2)15-5-3-7-17(20)11-15/h3,5,7-9,11,14,16H,4,6,10,12H2,1-2H3,(H,21,23)
InChIKeyJSRYQVQCNDXVJJ-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.99
Rot. Bonds5

About N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 42940275) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID42940275
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)c3cccc(Cl)c3)C2)s1
InChIInChI=1S/C19H23ClN2O3S2/c1-13-8-9-18(26-13)27(24,25)22-10-4-6-16(12-22)19(23)21-14(2)15-5-3-7-17(20)11-15/h3,5,7-9,11,14,16H,4,6,10,12H2,1-2H3,(H,21,23)
InChIKeyJSRYQVQCNDXVJJ-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092739
1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoro-1-phenylethyl)piperidine-3-carboxamide
CID 55794397
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 98681879
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]piperidine-3-carboxamide
CID 125063260
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 124561555
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]piperidine-3-carboxamide
CID 125078836
N-[1-(3-chlorophenyl)ethyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 18103394
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
N-(3-amino-2-methylpropyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 119996944

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 42940275) is N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)c3cccc(Cl)c3)C2)s1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is JSRYQVQCNDXVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-13-8-9-18(26-13)27(24,25)22-10-4-6-16(12-22)19(23)21-14(2)15-5-3-7-17(20)11-15/h3,5,7-9,11,14,16H,4,6,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 426.99 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 42940275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).