N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

C17H20N2OS — CID 43187468

IUPACN-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyACQVHDCLAZDSTO-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.00
Rot. Bonds4

About N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 43187468) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID43187468
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,18H2,1-3H3,(H,19,20)
InChIKeyACQVHDCLAZDSTO-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616316
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458639
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458641
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
N-(4-aminophenyl)-2-phenylsulfanylpropanamide
CID 43187412

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 43187468) is N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)Nc2ccc(N)cc2)c(C)c1.
What is the InChIKey of N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is ACQVHDCLAZDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-4-9-16(12(2)10-11)21-13(3)17(20)19-15-7-5-14(18)6-8-15/h4-10,13H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide 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 N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 43187468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).