(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide

C14H19NO3S — CID 95150702

IUPAC(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1C
InChIInChI=1S/C14H19NO3S/c1-3-15(13-7-5-4-6-11(13)2)14(16)12-8-9-19(17,18)10-12/h4-7,12H,3,8-10H2,1-2H3/t12-/m0/s1
InChIKeyKAPNEYPINRJIOS-LBPRGKRZSA-N
MW281.38 g/mol
LogP1.78
Rot. Bonds3

About (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 95150702) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID95150702
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1C
InChIInChI=1S/C14H19NO3S/c1-3-15(13-7-5-4-6-11(13)2)14(16)12-8-9-19(17,18)10-12/h4-7,12H,3,8-10H2,1-2H3/t12-/m0/s1
InChIKeyKAPNEYPINRJIOS-LBPRGKRZSA-N
XLogP1.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-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

2-(N-acetyl-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 113167317
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977682
2-[ethyl-(2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791396
2-(N-(1,1-dioxothiolane-3-carbonyl)-4-methylanilino)acetic acid
CID 60830600
(3R)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-ethyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 39976071
N-ethyl-N-(2-methylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080533
(3S)-N-ethyl-N-(2-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 39692566
N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide
CID 146419249
1-acetyl-N-ethyl-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 4595418
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
(3S)-1-butyl-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9398194
N-[(2-fluorophenyl)methyl]-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 134012637

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide (CID 95150702) is (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide is CCN(C(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1C.
What is the InChIKey of (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is KAPNEYPINRJIOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-3-15(13-7-5-4-6-11(13)2)14(16)12-8-9-19(17,18)10-12/h4-7,12H,3,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 281.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 95150702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).