N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

C19H22ClNOS — CID 7920186

IUPACN-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNOS/c1-19(2,3)16-6-4-5-7-17(16)21-18(22)12-13-23-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyYONKGWRRWWXIGK-UHFFFAOYSA-N
MW347.91 g/mol
LogP5.76
Rot. Bonds5

About N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide

N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 7920186) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID7920186
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC NameN-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C19H22ClNOS/c1-19(2,3)16-6-4-5-7-17(16)21-18(22)12-13-23-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,22)
InChIKeyYONKGWRRWWXIGK-UHFFFAOYSA-N
XLogP5.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.91
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 956628
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 35577296
N-(2-tert-butylphenyl)-2-(4-chlorophenoxy)acetamide
CID 2632006
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 46618612

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 7920186) is N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is CC(C)(C)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is YONKGWRRWWXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-19(2,3)16-6-4-5-7-17(16)21-18(22)12-13-23-15-10-8-14(20)9-11-15/h4-11H,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 347.91 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7920186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).