2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide

C17H24ClNOS — CID 11508124

IUPAC2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(SCc1ccccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24ClNOS/c1-17(2,16(20)19-14-9-4-3-5-10-14)21-12-13-8-6-7-11-15(13)18/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNLTDOFWXOYOWPU-UHFFFAOYSA-N
MW325.90 g/mol
LogP4.80
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide

2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide (PubChem CID 11508124) has the molecular formula C17H24ClNOS and a molecular weight of 325.90 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide
PubChem CID11508124
Molecular FormulaC17H24ClNOS
Molecular Weight325.90 g/mol
Exact Mass325.13
IUPAC Name2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide
SMILESCC(C)(SCc1ccccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C17H24ClNOS/c1-17(2,16(20)19-14-9-4-3-5-10-14)21-12-13-8-6-7-11-15(13)18/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,19,20)
InChIKeyNLTDOFWXOYOWPU-UHFFFAOYSA-N
XLogP4.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.90
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methylsulfanyl]-N-[(1S)-1-cyclohexylethyl]-2-methylpropanamide
CID 11681891
2-[(2-chlorophenyl)methylsulfanyl]-2-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 11703484
2-[(2-chlorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 79015641
1-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]-3-cyclohexylurea
CID 100744275
(2R)-2-[(2-chlorophenyl)methylsulfanyl]-N-cyclopropylpropanamide
CID 95579036
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132625507
2-[(2-chlorophenyl)methyl-propanoylamino]-N-cyclohexylbutanamide
CID 132761965
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-cyclopentylacetamide
CID 113162520
(2R)-3-[(2-chlorophenyl)methylsulfanyl]-2-[[1-(cyclohexylmethoxy)naphthalene-2-carbonyl]amino]-3-methylbutanoic acid
CID 168751776
2-[(2-chlorophenyl)methylsulfanyl]-1-cyclopentylethanone
CID 103289117
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-cyclododecylprop-2-enamide
CID 108862565

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide (CID 11508124) is 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide is CC(C)(SCc1ccccc1Cl)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide?
The InChIKey is NLTDOFWXOYOWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNOS/c1-17(2,16(20)19-14-9-4-3-5-10-14)21-12-13-8-6-7-11-15(13)18/h6-8,11,14H,3-5,9-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide?
2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide has a molecular weight of 325.90 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfanyl]-N-cyclohexyl-2-methylpropanamide is sourced from PubChem (CID 11508124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).