N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide

C16H22ClNO3S — CID 111520506

IUPACN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCS(=O)Cc1cc(NC(=O)CC2(O)CCCCC2)ccc1Cl
InChIInChI=1S/C16H22ClNO3S/c1-22(21)11-12-9-13(5-6-14(12)17)18-15(19)10-16(20)7-3-2-4-8-16/h5-6,9,20H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyMLWNUUZIGZOVRI-UHFFFAOYSA-N
MW343.88 g/mol
LogP3.24
Rot. Bonds5

About N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide

N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111520506) has the molecular formula C16H22ClNO3S and a molecular weight of 343.88 g/mol. Its IUPAC name is N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111520506
Molecular FormulaC16H22ClNO3S
Molecular Weight343.88 g/mol
Exact Mass343.10
IUPAC NameN-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCS(=O)Cc1cc(NC(=O)CC2(O)CCCCC2)ccc1Cl
InChIInChI=1S/C16H22ClNO3S/c1-22(21)11-12-9-13(5-6-14(12)17)18-15(19)10-16(20)7-3-2-4-8-16/h5-6,9,20H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyMLWNUUZIGZOVRI-UHFFFAOYSA-N
XLogP3.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119790098
N-[4-chloro-3-[[(S)-methylsulfinyl]methyl]phenyl]-2-cyclopentyloxyacetamide
CID 96551042
4-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]butanamide;hydrochloride
CID 119327327
7-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]heptanamide
CID 119790101
N-(4-amino-3,5-dichlorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331957
4-chloro-N-(2,2-dimethylpropyl)-3-(methylsulfinylmethyl)aniline
CID 86787782
4-chloro-N-cyclopentyl-3-(methylsulfinylmethyl)aniline
CID 86787784
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144789
N-(5-acetamido-2-fluorophenyl)-2-(1-hydroxycyclohexyl)acetamide
CID 111331778
2-amino-N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119790140
N-[3-(tert-butylsulfinylmethyl)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111538834
2-(1-hydroxycyclohexyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 111432174

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111520506) is N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide is CS(=O)Cc1cc(NC(=O)CC2(O)CCCCC2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is MLWNUUZIGZOVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3S/c1-22(21)11-12-9-13(5-6-14(12)17)18-15(19)10-16(20)7-3-2-4-8-16/h5-6,9,20H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 343.88 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111520506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).