N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide

C14H18N2O3S — CID 49153739

IUPACN-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1cccc(CSCC(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O3S/c1-19-12-4-2-3-10(7-12)8-20-9-13(17)16-14(18)15-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyHYLKGZQLVRKINR-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.92
Rot. Bonds6

About N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide

N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide (PubChem CID 49153739) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
PubChem CID49153739
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide
SMILESCOc1cccc(CSCC(=O)NC(=O)NC2CC2)c1
InChIInChI=1S/C14H18N2O3S/c1-19-12-4-2-3-10(7-12)8-20-9-13(17)16-14(18)15-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,16,17,18)
InChIKeyHYLKGZQLVRKINR-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 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 ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]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-(3-methoxyphenyl)-N-[4-(methylamino)cyclohexyl]acetamide
CID 43653164
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
tert-butyl 4-[(3-methoxyphenyl)methylcarbamoylamino]piperidine-1-carboxylate
CID 108898443
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methoxyphenyl)acetate
CID 7840127
2-[(3-methoxyphenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 75482272
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
N-[(3-methoxyphenyl)methyl]-2-(naphthalen-2-ylmethylsulfanyl)acetamide
CID 112769045
4-[[3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079391
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8011250
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773068

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide (CID 49153739) is N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide is COc1cccc(CSCC(=O)NC(=O)NC2CC2)c1.
What is the InChIKey of N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
The InChIKey is HYLKGZQLVRKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-19-12-4-2-3-10(7-12)8-20-9-13(17)16-14(18)15-11-5-6-11/h2-4,7,11H,5-6,8-9H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide?
N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylcarbamoyl)-2-[(3-methoxyphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 49153739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).