(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide

C19H30N2O4S — CID 40633716

IUPAC(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-5-6-11-20-19(22)16-8-7-12-21(14-16)26(23,24)17-9-10-18(25-3)15(2)13-17/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyKTIWZWHUWUYEEZ-INIZCTEOSA-N
MW382.53 g/mol
LogP2.71
Rot. Bonds8

About (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide

(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide (PubChem CID 40633716) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
PubChem CID40633716
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
SMILESCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1
InChIInChI=1S/C19H30N2O4S/c1-4-5-6-11-20-19(22)16-8-7-12-21(14-16)26(23,24)17-9-10-18(25-3)15(2)13-17/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyKTIWZWHUWUYEEZ-INIZCTEOSA-N
XLogP2.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3891100
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-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3214843
(3R)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40628353
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 3162885
(3R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 7453410
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 7457785
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861831
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
N-[(4-fluorophenyl)methyl]-1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 43872836
1-(4-methoxy-3-methylphenyl)sulfonyl-N-[(4-sulfamoylphenyl)methyl]piperidine-3-carboxamide
CID 43874869

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide (CID 40633716) is (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide is CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c(C)c2)C1.
What is the InChIKey of (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
The InChIKey is KTIWZWHUWUYEEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-5-6-11-20-19(22)16-8-7-12-21(14-16)26(23,24)17-9-10-18(25-3)15(2)13-17/h9-10,13,16H,4-8,11-12,14H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide?
(3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxy-3-methylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide is sourced from PubChem (CID 40633716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).