N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide

C13H18N2OS — CID 43085917

IUPACN-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
SMILESCSc1cccc(NC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2OS/c1-9(13(16)15-10-6-7-10)14-11-4-3-5-12(8-11)17-2/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyHUTCALGXOGZKFP-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.49
Rot. Bonds5

About N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide

N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide (PubChem CID 43085917) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
PubChem CID43085917
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC NameN-cyclopropyl-2-(3-methylsulfanylanilino)propanamide
SMILESCSc1cccc(NC(C)C(=O)NC2CC2)c1
InChIInChI=1S/C13H18N2OS/c1-9(13(16)15-10-6-7-10)14-11-4-3-5-12(8-11)17-2/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyHUTCALGXOGZKFP-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456
(2S)-2-(3-acetamidoanilino)-N-cyclohexylpropanamide
CID 40680935
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
N-cyclopropyl-2-(4-methylanilino)propanamide
CID 43085895
N-cyclohexyl-N'-(3-methylsulfanylphenyl)oxamide
CID 18588616
N-cyclohexyl-2-(3-ethynylanilino)propanamide
CID 43114037
N-cyclopropyl-2-(4-iodoanilino)propanamide
CID 43086001

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide?
The IUPAC name of N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide (CID 43085917) is N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide is CSc1cccc(NC(C)C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide?
The InChIKey is HUTCALGXOGZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-9(13(16)15-10-6-7-10)14-11-4-3-5-12(8-11)17-2/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide?
N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide has a molecular weight of 250.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-methylsulfanylanilino)propanamide is sourced from PubChem (CID 43085917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).