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

C19H22ClNOS — CID 17257472

IUPACN-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCCCCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNOS/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyNRXPBIVJSZBUTF-UHFFFAOYSA-N
MW347.91 g/mol
LogP5.80
Rot. Bonds8

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

N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 17257472) has the molecular formula C19H22ClNOS and a molecular weight of 347.91 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
PubChem CID17257472
Molecular FormulaC19H22ClNOS
Molecular Weight347.91 g/mol
Exact Mass347.11
IUPAC NameN-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
SMILESCCCCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNOS/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22)
InChIKeyNRXPBIVJSZBUTF-UHFFFAOYSA-N
XLogP5.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.91
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide 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

butyl 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 7927019
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 2477289
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
3-(4-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 846817
N-(4-acetylphenyl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 41272367
3-(4-chlorophenyl)sulfanyl-N-[4-[(S)-methylsulfinyl]phenyl]propanamide
CID 95778337
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
CID 55905661
N-(4-chlorophenyl)-4-(4-methoxyphenyl)sulfanylbutanamide
CID 41086497
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide (CID 17257472) is N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is CCCCc1ccc(NC(=O)CCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is NRXPBIVJSZBUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNOS/c1-2-3-4-15-5-9-17(10-6-15)21-19(22)13-14-23-18-11-7-16(20)8-12-18/h5-12H,2-4,13-14H2,1H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide?
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 347.91 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 17257472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).