N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C19H30N2O4S — CID 113002877

IUPACN-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C19H30N2O4S/c1-6-15(4)20-19(22)16-7-9-21(10-8-16)26(23,24)18-12-13(2)17(25-5)11-14(18)3/h11-12,15-16H,6-10H2,1-5H3,(H,20,22)
InChIKeyHCSWXLNWVCLTRL-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.63
Rot. Bonds6

About N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 113002877) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID113002877
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC NameN-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1
InChIInChI=1S/C19H30N2O4S/c1-6-15(4)20-19(22)16-7-9-21(10-8-16)26(23,24)18-12-13(2)17(25-5)11-14(18)3/h11-12,15-16H,6-10H2,1-5H3,(H,20,22)
InChIKeyHCSWXLNWVCLTRL-UHFFFAOYSA-N
XLogP2.63
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
N-[(2S)-butan-2-yl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 41447264
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
N-butan-2-yl-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 5108976
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine
CID 801464
N-[(2S)-pentan-2-yl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1090427
cyclobutyl-[4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818749
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28551367
1-[1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974814

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 113002877) is N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C)CC1.
What is the InChIKey of N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HCSWXLNWVCLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-6-15(4)20-19(22)16-7-9-21(10-8-16)26(23,24)18-12-13(2)17(25-5)11-14(18)3/h11-12,15-16H,6-10H2,1-5H3,(H,20,22).
What are the key properties of N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 113002877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).