(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide

C17H25NO3S2 — CID 52515319

IUPAC(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S2/c1-12-11-15(22-14-7-5-4-6-8-14)9-10-16(12)18-17(19)13(2)23(3,20)21/h9-11,13-14H,4-8H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyZCGDHERTAXOYSB-CYBMUJFWSA-N
MW355.53 g/mol
LogP3.79
Rot. Bonds5

About (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide

(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide (PubChem CID 52515319) has the molecular formula C17H25NO3S2 and a molecular weight of 355.53 g/mol. Its IUPAC name is (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
PubChem CID52515319
Molecular FormulaC17H25NO3S2
Molecular Weight355.53 g/mol
Exact Mass355.13
IUPAC Name(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide
SMILESCc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)S(C)(=O)=O
InChIInChI=1S/C17H25NO3S2/c1-12-11-15(22-14-7-5-4-6-8-14)9-10-16(12)18-17(19)13(2)23(3,20)21/h9-11,13-14H,4-8H2,1-3H3,(H,18,19)/t13-/m1/s1
InChIKeyZCGDHERTAXOYSB-CYBMUJFWSA-N
XLogP3.79
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)propanamide;hydrochloride
CID 119309258
N-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 60608611
4-amino-N-(4-cyclohexylsulfanyl-2-methylphenyl)pentanamide;hydrochloride
CID 120561649
1-(4-cyclohexylsulfanyl-2-methylphenyl)-3-(3-hydroxypropyl)urea
CID 110911006
2-bromo-N-(4-cyclohexylsulfanyl-2-methylphenyl)-5-sulfamoylbenzamide
CID 60608333
N-(4-cyclopentylsulfanylphenyl)-2-propan-2-ylsulfonylpropanamide
CID 55965539
methyl 3-[[2-(4-cyclohexylsulfanyl-2-methylanilino)-2-oxoacetyl]amino]-1-methylpyrazole-5-carboxylate
CID 166330543
2-(2-aminoethyl)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 120628160
N-(5-amino-2-methylphenyl)-2-methylsulfonylpropanamide
CID 61024834
(E)-3-[3-methyl-4-(2-methylsulfonylpropanoylamino)phenyl]prop-2-enoic acid
CID 104521958
(2S)-N-(2,5-dimethylphenyl)-2-methylsulfonylpropanamide
CID 94024925
(2R)-N-[4-[(2S)-butan-2-yl]sulfanyl-2-methylphenyl]-2-propan-2-ylsulfonylpropanamide
CID 52510301

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide?
The IUPAC name of (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide (CID 52515319) is (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide?
The canonical SMILES for (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide is Cc1cc(SC2CCCCC2)ccc1NC(=O)[C@@H](C)S(C)(=O)=O.
What is the InChIKey of (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide?
The InChIKey is ZCGDHERTAXOYSB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25NO3S2/c1-12-11-15(22-14-7-5-4-6-8-14)9-10-16(12)18-17(19)13(2)23(3,20)21/h9-11,13-14H,4-8H2,1-3H3,(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide?
(2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide has a molecular weight of 355.53 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-cyclohexylsulfanyl-2-methylphenyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 52515319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).