N-carbamoyl-2-(4-methylsulfanylanilino)propanamide

C11H15N3O2S — CID 43086461

IUPACN-carbamoyl-2-(4-methylsulfanylanilino)propanamide
SMILESCSc1ccc(NC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C11H15N3O2S/c1-7(10(15)14-11(12)16)13-8-3-5-9(17-2)6-4-8/h3-7,13H,1-2H3,(H3,12,14,15,16)
InChIKeyFIYQMZZVMHSQEW-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.40
Rot. Bonds4

About N-carbamoyl-2-(4-methylsulfanylanilino)propanamide

N-carbamoyl-2-(4-methylsulfanylanilino)propanamide (PubChem CID 43086461) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is N-carbamoyl-2-(4-methylsulfanylanilino)propanamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-methylsulfanylanilino)propanamide
PubChem CID43086461
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC NameN-carbamoyl-2-(4-methylsulfanylanilino)propanamide
SMILESCSc1ccc(NC(C)C(=O)NC(N)=O)cc1
InChIInChI=1S/C11H15N3O2S/c1-7(10(15)14-11(12)16)13-8-3-5-9(17-2)6-4-8/h3-7,13H,1-2H3,(H3,12,14,15,16)
InChIKeyFIYQMZZVMHSQEW-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-carbamoyl-2-(4-methylsulfanylanilino)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

2-(4-methylsulfanylanilino)-N-propylpropanamide
CID 43088199
(2S)-N-carbamoyl-2-(4-ethoxyanilino)propanamide
CID 41036741
(2R)-N-carbamoyl-2-(4-phenoxyanilino)propanamide
CID 25409314
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
2-(4-bromo-3-methylanilino)-N-carbamoylpropanamide
CID 17413409
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594729
(2S)-2-amino-N-(4-methylsulfanylphenyl)propanamide;hydrochloride
CID 119273769
N-carbamoyl-2-(3,5-dimethoxyanilino)propanamide
CID 43086081
2-(4-methylsulfanylanilino)-1-piperidin-1-ylpropan-1-one
CID 43088919
(2R)-N-carbamoyl-2-(dibenzofuran-2-ylamino)propanamide
CID 40954212
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953198
(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-methylsulfanylanilino)propanamide?
The IUPAC name of N-carbamoyl-2-(4-methylsulfanylanilino)propanamide (CID 43086461) is N-carbamoyl-2-(4-methylsulfanylanilino)propanamide.
What is the SMILES notation for N-carbamoyl-2-(4-methylsulfanylanilino)propanamide?
The canonical SMILES for N-carbamoyl-2-(4-methylsulfanylanilino)propanamide is CSc1ccc(NC(C)C(=O)NC(N)=O)cc1.
What is the InChIKey of N-carbamoyl-2-(4-methylsulfanylanilino)propanamide?
The InChIKey is FIYQMZZVMHSQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(10(15)14-11(12)16)13-8-3-5-9(17-2)6-4-8/h3-7,13H,1-2H3,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-2-(4-methylsulfanylanilino)propanamide?
N-carbamoyl-2-(4-methylsulfanylanilino)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-methylsulfanylanilino)propanamide is sourced from PubChem (CID 43086461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).