N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

C22H27N3O4S — CID 133254979

IUPACN-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H27N3O4S/c1-15-6-7-16(2)21(13-15)30(28,29)25-12-4-5-18(14-25)22(27)24-20-10-8-19(9-11-20)23-17(3)26/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNGIJNCIEYRXPHV-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.30
Rot. Bonds5

About N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide

N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 133254979) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID133254979
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC NameN-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1
InChIInChI=1S/C22H27N3O4S/c1-15-6-7-16(2)21(13-15)30(28,29)25-12-4-5-18(14-25)22(27)24-20-10-8-19(9-11-20)23-17(3)26/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyNGIJNCIEYRXPHV-UHFFFAOYSA-N
XLogP3.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254953
1-(2,5-dimethylphenyl)sulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 133254954
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 100780110
(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
(3S)-N-(4-butylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100780257
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
(3R)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779776
(3S)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 125062238

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide (CID 133254979) is N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(C)ccc3C)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is NGIJNCIEYRXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-6-7-16(2)21(13-15)30(28,29)25-12-4-5-18(14-25)22(27)24-20-10-8-19(9-11-20)23-17(3)26/h6-11,13,18H,4-5,12,14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide?
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133254979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).