(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide

C21H27N3O4S2 — CID 25492914

IUPAC(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C21H27N3O4S2/c1-3-12-22-21(26)17-8-4-5-9-18(17)23-20(25)16-7-6-13-24(14-16)30(27,28)19-11-10-15(2)29-19/h4-5,8-11,16H,3,6-7,12-14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyIHNYOVZQRAKDDO-MRXNPFEDSA-N
MW449.60 g/mol
LogP3.24
Rot. Bonds7

About (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 25492914) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID25492914
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC Name(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1
InChIInChI=1S/C21H27N3O4S2/c1-3-12-22-21(26)17-8-4-5-9-18(17)23-20(25)16-7-6-13-24(14-16)30(27,28)19-11-10-15(2)29-19/h4-5,8-11,16H,3,6-7,12-14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1
InChIKeyIHNYOVZQRAKDDO-MRXNPFEDSA-N
XLogP3.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
(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
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
(3S)-1-ethylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 125042744
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
N-[2-(ethylamino)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide;hydrochloride
CID 119509213
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
ethyl N-[2-[[1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carbonyl]amino]ethyl]carbamate
CID 56558739
1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(1,2,4-triazol-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 55908279
1-(benzenesulfonyl)-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 31288840

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 25492914) is (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide is CCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1.
What is the InChIKey of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is IHNYOVZQRAKDDO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c1-3-12-22-21(26)17-8-4-5-9-18(17)23-20(25)16-7-6-13-24(14-16)30(27,28)19-11-10-15(2)29-19/h4-5,8-11,16H,3,6-7,12-14H2,1-2H3,(H,22,26)(H,23,25)/t16-/m1/s1.
What are the key properties of (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide?
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 25492914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).