N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide

C14H18N2O3S — CID 104590665

IUPACN-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1cccc(O)c1
InChIInChI=1S/C14H18N2O3S/c1-16(8-13(18)15-10-5-6-10)14(19)9-20-12-4-2-3-11(17)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H,15,18)
InChIKeyRYJIGAWHXUQWKM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.22
Rot. Bonds6

About N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide (PubChem CID 104590665) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
PubChem CID104590665
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CSc1cccc(O)c1
InChIInChI=1S/C14H18N2O3S/c1-16(8-13(18)15-10-5-6-10)14(19)9-20-12-4-2-3-11(17)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H,15,18)
InChIKeyRYJIGAWHXUQWKM-UHFFFAOYSA-N
XLogP1.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]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

N-cyclohexyl-2-(3-hydroxyphenyl)sulfanyl-N-methylacetamide
CID 104590798
N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 24519556
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 25337709
2-(3-hydroxyphenyl)sulfanyl-N-methyl-N-phenylacetamide
CID 104590375
N-cyclopropyl-2-[3-(1-hydroxyethyl)phenyl]sulfanylacetamide
CID 64665950
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662
N-cyclopropyl-2-[methyl-[2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 8601346
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
N-cyclopropyl-2-[methyl-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetamide
CID 40669412
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide (CID 104590665) is N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide is CN(CC(=O)NC1CC1)C(=O)CSc1cccc(O)c1.
What is the InChIKey of N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide?
The InChIKey is RYJIGAWHXUQWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-16(8-13(18)15-10-5-6-10)14(19)9-20-12-4-2-3-11(17)7-12/h2-4,7,10,17H,5-6,8-9H2,1H3,(H,15,18).
What are the key properties of N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide is sourced from PubChem (CID 104590665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).