(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide

C24H33N3O4S — CID 93050150

IUPAC(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)cc1
InChIInChI=1S/C24H33N3O4S/c1-5-27(21-12-14-22(15-13-21)31-6-2)32(29,30)26-16-8-10-20(17-26)24(28)25-23-11-7-9-18(3)19(23)4/h7,9,11-15,20H,5-6,8,10,16-17H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyYYZFMRZQPFXCOI-FQEVSTJZSA-N
MW459.61 g/mol
LogP4.12
Rot. Bonds8

About (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide

(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide (PubChem CID 93050150) has the molecular formula C24H33N3O4S and a molecular weight of 459.61 g/mol. Its IUPAC name is (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
PubChem CID93050150
Molecular FormulaC24H33N3O4S
Molecular Weight459.61 g/mol
Exact Mass459.22
IUPAC Name(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
SMILESCCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)cc1
InChIInChI=1S/C24H33N3O4S/c1-5-27(21-12-14-22(15-13-21)31-6-2)32(29,30)26-16-8-10-20(17-26)24(28)25-23-11-7-9-18(3)19(23)4/h7,9,11-15,20H,5-6,8,10,16-17H2,1-4H3,(H,25,28)/t20-/m0/s1
InChIKeyYYZFMRZQPFXCOI-FQEVSTJZSA-N
XLogP4.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-propylpiperidine-3-carboxamide
CID 22553021
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 92687218
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide
CID 93177425
(3R)-N-[(4-ethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 92687172
(3R)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92687219
(3R)-1-[ethyl-(4-methoxyphenyl)sulfamoyl]-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 92687154
1-ethylsulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 6472618
N-(4-ethoxyphenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-3-carboxamide
CID 50808871
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 22552953
(3S)-N-[(2,3-dimethoxyphenyl)methyl]-1-[ethyl-(4-methoxyphenyl)sulfamoyl]piperidine-3-carboxamide
CID 93177419
(3S)-N-(2,3-dimethylphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28566089

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide (CID 93050150) is (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide is CCOc1ccc(N(CC)S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)cc1.
What is the InChIKey of (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
The InChIKey is YYZFMRZQPFXCOI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H33N3O4S/c1-5-27(21-12-14-22(15-13-21)31-6-2)32(29,30)26-16-8-10-20(17-26)24(28)25-23-11-7-9-18(3)19(23)4/h7,9,11-15,20H,5-6,8,10,16-17H2,1-4H3,(H,25,28)/t20-/m0/s1.
What are the key properties of (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide?
(3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide has a molecular weight of 459.61 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dimethylphenyl)-1-[(4-ethoxyphenyl)-ethylsulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 93050150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).