N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide

C14H22N2OS — CID 60884711

IUPACN-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
SMILESCc1cc(N)ccc1NC(=O)CCCSC(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)18-8-4-5-14(17)16-13-7-6-12(15)9-11(13)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyBNQVDMWJJVWOKB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.44
Rot. Bonds6

About N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide

N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide (PubChem CID 60884711) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
PubChem CID60884711
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC NameN-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide
SMILESCc1cc(N)ccc1NC(=O)CCCSC(C)C
InChIInChI=1S/C14H22N2OS/c1-10(2)18-8-4-5-14(17)16-13-7-6-12(15)9-11(13)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17)
InChIKeyBNQVDMWJJVWOKB-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-4-propan-2-ylsulfanylbutanamide
CID 60886583
N-(4-amino-2-methylphenyl)-3-(3-hydroxybutan-2-ylsulfanyl)propanamide
CID 107770540
N-(4-amino-2-methylphenyl)-4-[ethyl(propan-2-yl)amino]butanamide
CID 43265362
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)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-methylphenyl)-4-[(2-methylpropan-2-yl)oxy]butanamide
CID 28995316
N-(4-amino-2-methylphenyl)propanamide
CID 839309
N-(4-amino-2-methylphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569678
N-(4-amino-2-methylphenyl)-4-pyrimidin-4-ylsulfanylbutanamide
CID 63695851
N-(5-amino-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61025006
N-(4-amino-2-methylphenyl)-3-hexoxypropanamide
CID 43127219

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide (CID 60884711) is N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide is Cc1cc(N)ccc1NC(=O)CCCSC(C)C.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide?
The InChIKey is BNQVDMWJJVWOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10(2)18-8-4-5-14(17)16-13-7-6-12(15)9-11(13)3/h6-7,9-10H,4-5,8,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide?
N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide has a molecular weight of 266.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylphenyl)-4-propan-2-ylsulfanylbutanamide is sourced from PubChem (CID 60884711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).