2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide

C11H15N3O2S — CID 74646045

IUPAC2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)NC(N)=O)c1
InChIInChI=1S/C11H15N3O2S/c1-7(13-11(12)16)10(15)14-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,14,15)(H3,12,13,16)
InChIKeyPGLXBMOZGQKWJA-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.40
Rot. Bonds4

About 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide

2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 74646045) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
PubChem CID74646045
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
SMILESCSc1cccc(NC(=O)C(C)NC(N)=O)c1
InChIInChI=1S/C11H15N3O2S/c1-7(13-11(12)16)10(15)14-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,14,15)(H3,12,13,16)
InChIKeyPGLXBMOZGQKWJA-UHFFFAOYSA-N
XLogP1.40
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

(2S)-2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 32704805
2-(carbamoylamino)-N-(3-methylphenyl)propanamide
CID 24643360
(2S)-2-methylsulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 38886217
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
3-amino-4-(3-methylsulfanylanilino)-4-oxobutanoic acid
CID 64896435
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfanylphenyl)butanamide;hydrochloride
CID 119671133
2-methyl-3-(methylamino)-N-(3-methylsulfanylphenyl)propanamide;hydrochloride
CID 119671136
2-[1-(3-chlorophenyl)ethylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 112810915
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
(2S)-2-(carbamoylamino)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30904982

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide (CID 74646045) is 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide is CSc1cccc(NC(=O)C(C)NC(N)=O)c1.
What is the InChIKey of 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is PGLXBMOZGQKWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(13-11(12)16)10(15)14-8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,14,15)(H3,12,13,16).
What are the key properties of 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide?
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 253.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 74646045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).