N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide

C15H22N2O2S — CID 71915900

IUPACN-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC(C)C2C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-9-13(19-4)5-6-14(10)16-15(18)17-7-8-20-12(3)11(17)2/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,18)
InChIKeyLHTJTRYSGWQQHQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.36
Rot. Bonds2

About N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide

N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide (PubChem CID 71915900) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
PubChem CID71915900
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide
SMILESCOc1ccc(NC(=O)N2CCSC(C)C2C)c(C)c1
InChIInChI=1S/C15H22N2O2S/c1-10-9-13(19-4)5-6-14(10)16-15(18)17-7-8-20-12(3)11(17)2/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,18)
InChIKeyLHTJTRYSGWQQHQ-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-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-(4-bromophenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122328954
2-(5-bromo-2-methoxyphenyl)-N-(4-methoxy-2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 122330056
(2R)-2-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 7347826
(2R)-N,2-bis(2,4-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 7362006
2-(3,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-1,3-thiazolidine-3-carboxamide
CID 4619225
2-(3-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazolidine-3-carboxamide
CID 86264803
(2S)-N-(2,4-dimethoxyphenyl)-2-(3,5-dimethoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 1025612
2-[1-[(4-methoxy-2-methylphenyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 62871728
(3aS,6aS)-N-(4-methoxy-2-methylphenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 118788669
N-(2,3-dimethylphenyl)-2-(4-methoxyphenyl)-1,3-thiazolidine-3-carboxamide
CID 122331362
1-[(4-methoxy-2-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721672
(2S)-N-(4-methoxyphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 7423405

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide (CID 71915900) is N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide is COc1ccc(NC(=O)N2CCSC(C)C2C)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
The InChIKey is LHTJTRYSGWQQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-9-13(19-4)5-6-14(10)16-15(18)17-7-8-20-12(3)11(17)2/h5-6,9,11-12H,7-8H2,1-4H3,(H,16,18).
What are the key properties of N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide?
N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-2,3-dimethylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71915900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).