N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C22H26N4O3S2 — CID 112810504

IUPACN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-16-5-8-18(9-6-16)14-26-20(11-12-23-26)24-22(27)19-4-3-13-25(15-19)31(28,29)21-10-7-17(2)30-21/h5-12,19H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHTDJGFTWAPWMSL-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 112810504) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID112810504
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC NameN-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1
InChIInChI=1S/C22H26N4O3S2/c1-16-5-8-18(9-6-16)14-26-20(11-12-23-26)24-22(27)19-4-3-13-25(15-19)31(28,29)21-10-7-17(2)30-21/h5-12,19H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHTDJGFTWAPWMSL-UHFFFAOYSA-N
XLogP3.65
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methyl-2-pyridinyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46523339
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55797970
N-(2-benzylpyrazol-3-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55414402
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]piperidine-3-carboxamide
CID 55600209
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 34827204
(3R)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 2055816
N-(4-acetyl-1,3-thiazol-2-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643295
ethyl (3S)-3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 39991255
N-methyl-N-(4-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 60622079
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
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 112810504) is N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(Cn2nccc2NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is HTDJGFTWAPWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-16-5-8-18(9-6-16)14-26-20(11-12-23-26)24-22(27)19-4-3-13-25(15-19)31(28,29)21-10-7-17(2)30-21/h5-12,19H,3-4,13-15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 458.61 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 112810504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).