(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide

C23H31N3O3S — CID 137461154

IUPAC(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C23H31N3O3S/c1-4-24-23(27)26-13-7-12-21(25-30(3,28)29)22(26)16-18-9-6-11-20(15-18)19-10-5-8-17(2)14-19/h5-6,8-11,14-15,21-22,25H,4,7,12-13,16H2,1-3H3,(H,24,27)/t21-,22-/m0/s1
InChIKeyLNIABCHSOYJVLD-VXKWHMMOSA-N
MW429.59 g/mol
LogP3.32
Rot. Bonds6

About (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide

(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 137461154) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID137461154
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C23H31N3O3S/c1-4-24-23(27)26-13-7-12-21(25-30(3,28)29)22(26)16-18-9-6-11-20(15-18)19-10-5-8-17(2)14-19/h5-6,8-11,14-15,21-22,25H,4,7,12-13,16H2,1-3H3,(H,24,27)/t21-,22-/m0/s1
InChIKeyLNIABCHSOYJVLD-VXKWHMMOSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-3-(methanesulfonamido)-2-[[3-[(3-methylphenyl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 137461550
(2S,3S)-N-ethyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 137461333
methyl 3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxylate
CID 137461118
N-[1-butanoyl-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 147041468
N-ethyl-3-(methanesulfonamido)-2-[(4-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137462003
3-(methanesulfonamido)-N,N-dimethyl-2-[(3-phenylphenyl)methyl]piperidine-1-carboxamide
CID 137461539
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(4-phenoxyphenyl)methyl]piperidine-1-carboxamide
CID 137461096
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[(6-phenyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 137461285
N-[(2S,3S)-1-(2,2-difluoroacetyl)-2-[(3-phenylphenyl)methyl]piperidin-3-yl]methanesulfonamide
CID 137462211
cyclopropyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461302
phenyl 3-(methanesulfonamido)-2-[(3-phenylphenyl)methyl]piperidine-1-carboxylate
CID 137461708
methyl (2R,3R)-3-(methanesulfonamido)-2-[(3-pyridin-4-ylphenyl)methyl]piperidine-1-carboxylate
CID 137461805

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide (CID 137461154) is (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](NS(C)(=O)=O)[C@@H]1Cc1cccc(-c2cccc(C)c2)c1.
What is the InChIKey of (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is LNIABCHSOYJVLD-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-24-23(27)26-13-7-12-21(25-30(3,28)29)22(26)16-18-9-6-11-20(15-18)19-10-5-8-17(2)14-19/h5-6,8-11,14-15,21-22,25H,4,7,12-13,16H2,1-3H3,(H,24,27)/t21-,22-/m0/s1.
What are the key properties of (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide?
(2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 429.59 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-ethyl-3-(methanesulfonamido)-2-[[3-(3-methylphenyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 137461154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).