4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide

C15H21N3O2S — CID 107108513

IUPAC4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1c(C)cccc1C(N)=S
InChIInChI=1S/C15H21N3O2S/c1-3-17-15(19)12-9-20-8-7-18(12)13-10(2)5-4-6-11(13)14(16)21/h4-6,12H,3,7-9H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyGHDDAMJXZQRPHB-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.97
Rot. Bonds4

About 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide

4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 107108513) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID107108513
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1c(C)cccc1C(N)=S
InChIInChI=1S/C15H21N3O2S/c1-3-17-15(19)12-9-20-8-7-18(12)13-10(2)5-4-6-11(13)14(16)21/h4-6,12H,3,7-9H2,1-2H3,(H2,16,21)(H,17,19)
InChIKeyGHDDAMJXZQRPHB-UHFFFAOYSA-N
XLogP0.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-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

3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
methyl 4-(2-carbamothioylphenyl)morpholine-3-carboxylate
CID 104774646
4-(2,6-difluoro-4-formylphenyl)-N-ethylmorpholine-3-carboxamide
CID 83101244
4-[4-(aminomethyl)-2-bromophenyl]-N-ethylmorpholine-3-carboxamide
CID 83107194
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
CID 116797240

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide (CID 107108513) is 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1c(C)cccc1C(N)=S.
What is the InChIKey of 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is GHDDAMJXZQRPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-17-15(19)12-9-20-8-7-18(12)13-10(2)5-4-6-11(13)14(16)21/h4-6,12H,3,7-9H2,1-2H3,(H2,16,21)(H,17,19).
What are the key properties of 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide?
4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 107108513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).