3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide

C15H19Cl2NOS — CID 23804460

IUPAC3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCSC1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NOS/c16-11-6-7-13(17)14(10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyMPGFEFLVFBUCKJ-UHFFFAOYSA-N
MW332.30 g/mol
LogP5.39
Rot. Bonds5

About 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide

3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide (PubChem CID 23804460) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
PubChem CID23804460
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC Name3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide
SMILESO=C(CCSC1CCCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H19Cl2NOS/c16-11-6-7-13(17)14(10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19)
InChIKeyMPGFEFLVFBUCKJ-UHFFFAOYSA-N
XLogP5.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.30
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
3-cyclohexylsulfanyl-N-(2,3-dichlorophenyl)propanamide
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3-(cyclopentylamino)-N-(2,5-dichlorophenyl)propanamide
CID 109013761
N-(5-amino-2-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60884491
N-(3-amino-4-chlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886574
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
CID 60886349
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
2-cyclopentylsulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 7825724
3-cyclohexylsulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23804517
2-[3-(2,5-dichloroanilino)-3-oxopropyl]sulfanyl-3-methylbutanoic acid
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5-(2,5-dichloroanilino)-5-oxopentanoic acid
CID 3516353

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide (CID 23804460) is 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide is O=C(CCSC1CCCCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is MPGFEFLVFBUCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c16-11-6-7-13(17)14(10-11)18-15(19)8-9-20-12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H,18,19).
What are the key properties of 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide?
3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 332.30 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 23804460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).