N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide

C15H20Cl2N2OS — CID 60886349

IUPACN-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCSC1CCCCC1
InChIInChI=1S/C15H20Cl2N2OS/c16-10-8-12(17)15(13(18)9-10)19-14(20)6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyXPJMRLIZKRYTNO-UHFFFAOYSA-N
MW347.31 g/mol
LogP4.97
Rot. Bonds5

About N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide

N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide (PubChem CID 60886349) has the molecular formula C15H20Cl2N2OS and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
PubChem CID60886349
Molecular FormulaC15H20Cl2N2OS
Molecular Weight347.31 g/mol
Exact Mass346.07
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide
SMILESNc1cc(Cl)cc(Cl)c1NC(=O)CCSC1CCCCC1
InChIInChI=1S/C15H20Cl2N2OS/c16-10-8-12(17)15(13(18)9-10)19-14(20)6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20)
InChIKeyXPJMRLIZKRYTNO-UHFFFAOYSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 54.97
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

N-(2,4-dichlorophenyl)-2-carbamoylthioacetamide
CID 671806
N-(2,4-dichlorophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 1488196
(2S)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591448
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 2591450
N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 7484514
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 7732077
(2S)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide
CID 8705562
(2R)-N-(2-chloro-4-fluorophenyl)-2-cyclohexylsulfanylpropanamide
CID 8705563
N-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 16504432
N-(2,4-dichlorophenyl)-2-(2-fluorophenyl)sulfanylpropanamide
CID 16520321
N-(2-amino-4,6-dichlorophenyl)-3,3,3-trifluoropropanamide
CID 16778368
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropanamide
CID 24138501

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide (CID 60886349) is N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide is Nc1cc(Cl)cc(Cl)c1NC(=O)CCSC1CCCCC1.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide?
The InChIKey is XPJMRLIZKRYTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2OS/c16-10-8-12(17)15(13(18)9-10)19-14(20)6-7-21-11-4-2-1-3-5-11/h8-9,11H,1-7,18H2,(H,19,20).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide?
N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide has a molecular weight of 347.31 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-3-cyclohexylsulfanylpropanamide is sourced from PubChem (CID 60886349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).