3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

C12H16N2O3S — CID 47154225

IUPAC3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1cccc(OC)c1
InChIInChI=1S/C12H16N2O3S/c1-13-12(16)14-11(15)6-7-18-10-5-3-4-9(8-10)17-2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXNMSMAVJLWZOKG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.63
Rot. Bonds5

About 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide

3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (PubChem CID 47154225) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
PubChem CID47154225
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)CCSc1cccc(OC)c1
InChIInChI=1S/C12H16N2O3S/c1-13-12(16)14-11(15)6-7-18-10-5-3-4-9(8-10)17-2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXNMSMAVJLWZOKG-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide 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

5-(3-methoxyphenyl)sulfanylpentanehydrazide
CID 63580608
2-(3-methoxyphenyl)sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119503641
2-(3-methoxyphenyl)sulfanylethanol
CID 2759720
6-(3-methoxyphenyl)sulfanylhexan-3-one
CID 104623576
2-(2-amino-5-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 79518862
4-(3-methoxyphenyl)sulfanyl-2-(methylamino)butan-1-ol
CID 64805744
N-carbamoyl-3-(3-methylphenyl)sulfanylpropanamide
CID 47449185
3-[(6-amino-3-pyridinyl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 43301810
2-[1-[(3-methoxyphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65496783
3-[3-(1-aminoethyl)phenyl]sulfanyl-N-methylpropanamide
CID 64662146
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
methyl 3-[[3-(methylcarbamoylamino)-3-oxopropyl]sulfanylmethyl]benzoate
CID 34504925

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide (CID 47154225) is 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)CCSc1cccc(OC)c1.
What is the InChIKey of 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
The InChIKey is XNMSMAVJLWZOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-13-12(16)14-11(15)6-7-18-10-5-3-4-9(8-10)17-2/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide?
3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide has a molecular weight of 268.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)sulfanyl-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 47154225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).