2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

C17H20N2OS — CID 18894186

IUPAC2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Sc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2OS/c1-11-7-12(2)9-15(8-11)19-17(20)13(3)21-16-6-4-5-14(18)10-16/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyVZHZOBOVYYVKFU-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.00
Rot. Bonds4

About 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide

2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (PubChem CID 18894186) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
PubChem CID18894186
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)C(C)Sc2cccc(N)c2)c1
InChIInChI=1S/C17H20N2OS/c1-11-7-12(2)9-15(8-11)19-17(20)13(3)21-16-6-4-5-14(18)10-16/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyVZHZOBOVYYVKFU-UHFFFAOYSA-N
XLogP4.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-aminophenyl)sulfanylpropanoylamino]-2-chlorobenzoic acid
CID 18894218
(2S)-N-(3,5-dimethylphenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 95048255
2-(3-aminophenyl)sulfanyl-N-(2-ethyl-6-methylphenyl)propanamide
CID 18894207
2-(3-aminophenyl)sulfanyl-N-tert-butylpropanamide
CID 79134421
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
2-(3-aminophenyl)sulfanyl-N-(4-bromo-2-fluorophenyl)propanamide
CID 18894169
N-(5-amino-2-fluorophenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 61242685
N-(3,5-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide
CID 18901816
2-(3-aminophenyl)sulfanyl-N-(3-methylbutyl)propanamide
CID 79133388
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412
2-(3-aminophenyl)sulfanyl-N-prop-2-enylpropanamide
CID 79134025
N-(5-amino-2-methylphenyl)-2-phenylsulfanylpropanamide
CID 43187416

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide (CID 18894186) is 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)C(C)Sc2cccc(N)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is VZHZOBOVYYVKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-7-12(2)9-15(8-11)19-17(20)13(3)21-16-6-4-5-14(18)10-16/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide?
2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 300.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 18894186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).