2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide

C15H20N2O3S — CID 61388197

IUPAC2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCCOc1cc(C(N)=S)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C15H20N2O3S/c1-2-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10-3-4-10/h5-7,10H,2-4,8-9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyFPCVEXOOVBUXOI-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.62
Rot. Bonds8

About 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide

2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide (PubChem CID 61388197) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide
PubChem CID61388197
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide
SMILESCCOc1cc(C(N)=S)ccc1OCC(=O)NCC1CC1
InChIInChI=1S/C15H20N2O3S/c1-2-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10-3-4-10/h5-7,10H,2-4,8-9H2,1H3,(H2,16,21)(H,17,18)
InChIKeyFPCVEXOOVBUXOI-UHFFFAOYSA-N
XLogP1.62
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide 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-(5-carbamothioyl-2-methylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 107656363
2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 61388239
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
2-(cyclopropylmethylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116557746
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
3-(4-carbamothioyl-2-ethoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623798
N-(cyclopropylmethyl)-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 43278722
2-(5-carbamothioyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 107656439
2-(2-carbamothioylphenoxy)-N-(cyclopentylmethyl)acetamide
CID 43371246
N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-(2-ethoxyphenoxy)acetamide
CID 94006317
2-(2-amino-4-bromophenoxy)-N-(cyclopropylmethyl)acetamide
CID 65430722
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide (CID 61388197) is 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide is CCOc1cc(C(N)=S)ccc1OCC(=O)NCC1CC1.
What is the InChIKey of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
The InChIKey is FPCVEXOOVBUXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-19-13-7-11(15(16)21)5-6-12(13)20-9-14(18)17-8-10-3-4-10/h5-7,10H,2-4,8-9H2,1H3,(H2,16,21)(H,17,18).
What are the key properties of 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide?
2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide has a molecular weight of 308.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-2-ethoxyphenoxy)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 61388197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).