N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C23H29N3O6S — CID 73401775

IUPACN-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)Nc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C23H29N3O6S/c1-16(22(27)25-18-7-4-8-20(14-18)32-3)24-23(28)17-6-5-13-26(15-17)33(29,30)21-11-9-19(31-2)10-12-21/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXRWBGUHIOMAQRJ-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.25
Rot. Bonds8

About N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 73401775) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID73401775
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)Nc3cccc(OC)c3)C2)cc1
InChIInChI=1S/C23H29N3O6S/c1-16(22(27)25-18-7-4-8-20(14-18)32-3)24-23(28)17-6-5-13-26(15-17)33(29,30)21-11-9-19(31-2)10-12-21/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyXRWBGUHIOMAQRJ-UHFFFAOYSA-N
XLogP2.25
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-[(2R)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97263010
(3S)-N-[(2S)-1-anilino-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 40961230
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 9226890
N-[1-(cycloheptylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 56737600
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 41302466
(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 97038069
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 40947216
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-1-(benzenesulfonyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 41009604

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 73401775) is N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)NC(C)C(=O)Nc3cccc(OC)c3)C2)cc1.
What is the InChIKey of N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is XRWBGUHIOMAQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-16(22(27)25-18-7-4-8-20(14-18)32-3)24-23(28)17-6-5-13-26(15-17)33(29,30)21-11-9-19(31-2)10-12-21/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 73401775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).