N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide

C22H27N3O5S — CID 126382202

IUPACN-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-15-4-9-20(30-3)21(14-15)31(28,29)25-12-10-17(11-13-25)22(27)24-19-7-5-18(6-8-19)23-16(2)26/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyITDUVJASJAJWKQ-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.00
Rot. Bonds6

About N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 126382202) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID126382202
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C22H27N3O5S/c1-15-4-9-20(30-3)21(14-15)31(28,29)25-12-10-17(11-13-25)22(27)24-19-7-5-18(6-8-19)23-16(2)26/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyITDUVJASJAJWKQ-UHFFFAOYSA-N
XLogP3.00
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302817
N-(1,3-benzodioxol-5-yl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1264990
ethyl 1-[4-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100800227
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 1242733
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
methyl 5-[[1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 28549828
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
(3R)-N-(4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126396882
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
1-(2-methoxy-5-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 3899735
1-(2,5-dimethoxyphenyl)sulfonyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 99967724

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 126382202) is N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)Nc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is ITDUVJASJAJWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-15-4-9-20(30-3)21(14-15)31(28,29)25-12-10-17(11-13-25)22(27)24-19-7-5-18(6-8-19)23-16(2)26/h4-9,14,17H,10-13H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 126382202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).