N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C20H24ClN3O4S2 — CID 43063580

IUPACN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)C2)s1
InChIInChI=1S/C20H24ClN3O4S2/c1-13-6-9-18(29-13)30(27,28)24-10-4-5-15(12-24)19(25)22-17-11-14(7-8-16(17)21)20(26)23(2)3/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,25)
InChIKeySDFZLCOWNBZHNS-UHFFFAOYSA-N
MW470.02 g/mol
LogP3.45
Rot. Bonds5

About N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 43063580) has the molecular formula C20H24ClN3O4S2 and a molecular weight of 470.02 g/mol. Its IUPAC name is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID43063580
Molecular FormulaC20H24ClN3O4S2
Molecular Weight470.02 g/mol
Exact Mass469.09
IUPAC NameN-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)C2)s1
InChIInChI=1S/C20H24ClN3O4S2/c1-13-6-9-18(29-13)30(27,28)24-10-4-5-15(12-24)19(25)22-17-11-14(7-8-16(17)21)20(26)23(2)3/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,25)
InChIKeySDFZLCOWNBZHNS-UHFFFAOYSA-N
XLogP3.45
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.02
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
methyl 3-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]thiophene-2-carboxylate
CID 24643102
(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-(2-oxo-1H-pyridin-3-yl)piperidine-3-carboxamide
CID 52908764
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N'-(4-fluorobenzoyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbohydrazide
CID 46521967
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 25492914
N-(2-methyl-4-morpholin-4-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55615309
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 43063580) is N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cc(C(=O)N(C)C)ccc3Cl)C2)s1.
What is the InChIKey of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is SDFZLCOWNBZHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S2/c1-13-6-9-18(29-13)30(27,28)24-10-4-5-15(12-24)19(25)22-17-11-14(7-8-16(17)21)20(26)23(2)3/h6-9,11,15H,4-5,10,12H2,1-3H3,(H,22,25).
What are the key properties of N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 470.02 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43063580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).