(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

C24H33N3O6S — CID 93177419

IUPAC(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OC)c2OC)C1
InChIInChI=1S/C24H33N3O6S/c1-5-27(20-11-13-21(31-2)14-12-20)34(29,30)26-15-7-9-19(17-26)24(28)25-16-18-8-6-10-22(32-3)23(18)33-4/h6,8,10-14,19H,5,7,9,15-17H2,1-4H3,(H,25,28)/t19-/m0/s1
InChIKeyNYWDPCPRRCWKBM-IBGZPJMESA-N
MW491.61 g/mol
LogP2.81
Rot. Bonds10

About (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide

(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (PubChem CID 93177419) has the molecular formula C24H33N3O6S and a molecular weight of 491.61 g/mol. Its IUPAC name is (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
PubChem CID93177419
Molecular FormulaC24H33N3O6S
Molecular Weight491.61 g/mol
Exact Mass491.21
IUPAC Name(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OC)c2OC)C1
InChIInChI=1S/C24H33N3O6S/c1-5-27(20-11-13-21(31-2)14-12-20)34(29,30)26-15-7-9-19(17-26)24(28)25-16-18-8-6-10-22(32-3)23(18)33-4/h6,8,10-14,19H,5,7,9,15-17H2,1-4H3,(H,25,28)/t19-/m0/s1
InChIKeyNYWDPCPRRCWKBM-IBGZPJMESA-N
XLogP2.81
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
N-[(2,3-dimethoxyphenyl)methyl]-1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 22552995
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3R)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 124771785
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552950
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(1-ethylindol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92751327
(3S)-1-ethylsulfonyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 125042648
1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carboxamide
CID 42275679

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide (CID 93177419) is (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(OC)c2OC)C1.
What is the InChIKey of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
The InChIKey is NYWDPCPRRCWKBM-IBGZPJMESA-N. The full InChI is InChI=1S/C24H33N3O6S/c1-5-27(20-11-13-21(31-2)14-12-20)34(29,30)26-15-7-9-19(17-26)24(28)25-16-18-8-6-10-22(32-3)23(18)33-4/h6,8,10-14,19H,5,7,9,15-17H2,1-4H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide?
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 93177419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).