(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

C19H30N2O4S — CID 40628353

IUPAC(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-5-7-15(3)20-19(22)16-8-6-11-21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22)/t15-,16-/m1/s1
InChIKeySZWYUBRCAQCLJM-HZPDHXFCSA-N
MW382.53 g/mol
LogP2.71
Rot. Bonds7

About (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide

(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (PubChem CID 40628353) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
PubChem CID40628353
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
SMILESCCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-5-7-15(3)20-19(22)16-8-6-11-21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22)/t15-,16-/m1/s1
InChIKeySZWYUBRCAQCLJM-HZPDHXFCSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1092912
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 40633716
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2S)-1-methoxypropan-2-yl]piperidine-3-carboxamide
CID 7457802
N-(2-hydroxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3894563
(3S)-N-(2-methoxyethyl)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302550
N-cycloheptyl-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2979454
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 125057960
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
1-naphthalen-2-ylsulfonyl-N-pentan-2-ylpiperidine-3-carboxamide
CID 4684175
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
(3S)-1-(3,4-dimethoxyphenyl)sulfonyl-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]piperidine-3-carboxamide
CID 30404720

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide (CID 40628353) is (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is CCC[C@@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1.
What is the InChIKey of (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
The InChIKey is SZWYUBRCAQCLJM-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-5-7-15(3)20-19(22)16-8-6-11-21(13-16)26(23,24)17-9-10-18(25-4)14(2)12-17/h9-10,12,15-16H,5-8,11,13H2,1-4H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide?
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 40628353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).