N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide

C14H22N2O2S — CID 107770540

IUPACN-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCSC(C)C(C)O
InChIInChI=1S/C14H22N2O2S/c1-9-8-12(15)4-5-13(9)16-14(18)6-7-19-11(3)10(2)17/h4-5,8,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeySHNRHLUXYPEBRJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.41
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide

N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide (PubChem CID 107770540) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
PubChem CID107770540
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
SMILESCc1cc(N)ccc1NC(=O)CCSC(C)C(C)O
InChIInChI=1S/C14H22N2O2S/c1-9-8-12(15)4-5-13(9)16-14(18)6-7-19-11(3)10(2)17/h4-5,8,10-11,17H,6-7,15H2,1-3H3,(H,16,18)
InChIKeySHNRHLUXYPEBRJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)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

N-(4-amino-2-chlorophenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770520
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60884711
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(4-amino-2-methylphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60885159
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(4-amino-2-methylphenyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 62255596
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-2-methylpropanamide
CID 960642

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide (CID 107770540) is N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide is Cc1cc(N)ccc1NC(=O)CCSC(C)C(C)O.
What is the InChIKey of N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide?
The InChIKey is SHNRHLUXYPEBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-8-12(15)4-5-13(9)16-14(18)6-7-19-11(3)10(2)17/h4-5,8,10-11,17H,6-7,15H2,1-3H3,(H,16,18).
What are the key properties of N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide?
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide has a molecular weight of 282.41 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide is sourced from PubChem (CID 107770540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).