2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide

C15H22N2OS — CID 63034668

IUPAC2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
SMILESCc1ccc(SCCC(NC2CC2)C(N)=O)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-10-3-6-14(11(2)9-10)19-8-7-13(15(16)18)17-12-4-5-12/h3,6,9,12-13,17H,4-5,7-8H2,1-2H3,(H2,16,18)
InChIKeyNFEZGGSTULDMFO-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.39
Rot. Bonds7

About 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide

2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide (PubChem CID 63034668) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
PubChem CID63034668
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide
SMILESCc1ccc(SCCC(NC2CC2)C(N)=O)c(C)c1
InChIInChI=1S/C15H22N2OS/c1-10-3-6-14(11(2)9-10)19-8-7-13(15(16)18)17-12-4-5-12/h3,6,9,12-13,17H,4-5,7-8H2,1-2H3,(H2,16,18)
InChIKeyNFEZGGSTULDMFO-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethylphenyl)sulfanyl-2-(methylamino)butanoic acid
CID 63034836
methyl 4-(2,4-dimethylphenyl)sulfanyl-2-(ethylamino)butanoate
CID 63034318
4-(3-chlorophenyl)sulfanyl-2-(cyclopropylamino)butanamide
CID 63035769
2-(cyclopropylamino)-4-pyridin-2-ylsulfanylbutanamide
CID 63033420
methyl 2-(cyclopropylamino)-4-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107782130
2-(methylamino)-4-(2-methylphenyl)sulfanylbutanamide
CID 63035751
2-(cyclopropylamino)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
CID 63033824
2-(methylamino)-4-(4-methylphenyl)sulfanylbutanamide
CID 63034830
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclopropylamino)-4-(2,3-dimethylphenoxy)butanamide
CID 63039159
2-(cyclopropylamino)-4-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 63033299
2-(cyclopropylamino)-4-(N-ethyl-2-methylanilino)butanamide
CID 63029106

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide (CID 63034668) is 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide is Cc1ccc(SCCC(NC2CC2)C(N)=O)c(C)c1.
What is the InChIKey of 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide?
The InChIKey is NFEZGGSTULDMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10-3-6-14(11(2)9-10)19-8-7-13(15(16)18)17-12-4-5-12/h3,6,9,12-13,17H,4-5,7-8H2,1-2H3,(H2,16,18).
What are the key properties of 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide?
2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide has a molecular weight of 278.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(2,4-dimethylphenyl)sulfanylbutanamide is sourced from PubChem (CID 63034668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).