N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide

C18H20N2O2S — CID 7375064

IUPACN-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-16-11-9-15(10-12-16)20-17(21)18(23)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyPUCURPILSURQEB-ZDUSSCGKSA-N
MW328.44 g/mol
LogP3.70
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide

N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide (PubChem CID 7375064) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
PubChem CID7375064
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide
SMILESCCOc1ccc(NC(=O)C(=S)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C18H20N2O2S/c1-3-22-16-11-9-15(10-12-16)20-17(21)18(23)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,23)(H,20,21)/t13-/m0/s1
InChIKeyPUCURPILSURQEB-ZDUSSCGKSA-N
XLogP3.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide 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'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
N-[4-(2-methylpropoxy)phenyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 40977489
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
1-[(1R)-1,2-diphenylethyl]-3-(4-ethoxyphenyl)thiourea
CID 6958648
N-(4-ethoxyphenyl)-3,3-diphenylpropanamide
CID 836173
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
(3R,4R)-3-[(4-ethoxyphenyl)carbamoyl]-4-phenylpentanoic acid
CID 761485
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
N-(3,4-dimethylphenyl)-N'-[(1R)-1-(4-ethoxyphenyl)ethyl]oxamide
CID 94536642

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide (CID 7375064) is N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide is CCOc1ccc(NC(=O)C(=S)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide?
The InChIKey is PUCURPILSURQEB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-22-16-11-9-15(10-12-16)20-17(21)18(23)19-13(2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,23)(H,20,21)/t13-/m0/s1.
What are the key properties of N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide?
N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide has a molecular weight of 328.44 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]-2-sulfanylideneacetamide is sourced from PubChem (CID 7375064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).