N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide

C17H26N2O4S2 — CID 95763029

IUPACN-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(C[S@@](=O)CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S2/c1-19(2)25(22,23)16-10-6-7-14(11-16)12-24(21)13-17(20)18-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3,(H,18,20)/t24-/m1/s1
InChIKeyXGNXKGKZQADWBT-XMMPIXPASA-N
MW386.54 g/mol
LogP1.63
Rot. Bonds7

About N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide

N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide (PubChem CID 95763029) has the molecular formula C17H26N2O4S2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
PubChem CID95763029
Molecular FormulaC17H26N2O4S2
Molecular Weight386.54 g/mol
Exact Mass386.13
IUPAC NameN-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(C[S@@](=O)CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N2O4S2/c1-19(2)25(22,23)16-10-6-7-14(11-16)12-24(21)13-17(20)18-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3,(H,18,20)/t24-/m1/s1
InChIKeyXGNXKGKZQADWBT-XMMPIXPASA-N
XLogP1.63
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(S)-cyclohexylmethylsulfinyl]methyl]-N,N-dimethylbenzenesulfonamide
CID 95335895
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
N-cyclopentyl-2-[(S)-[3-(trifluoromethyl)phenyl]methylsulfinyl]acetamide
CID 95169267
N-cyclopentyl-2-[[3-(dimethylsulfamoyl)phenyl]methoxy]benzamide
CID 78903302
N-cyclopropyl-2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanamide
CID 56811597
N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
CID 95169060
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
N-cyclohexyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 1292427
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfinylmethyl]benzoic acid
CID 123109697
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
CID 109063417
3-(cyclopentylamino)-N,N-dimethylbenzenesulfonamide
CID 43715534
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide (CID 95763029) is N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide is CN(C)S(=O)(=O)c1cccc(C[S@@](=O)CC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide?
The InChIKey is XGNXKGKZQADWBT-XMMPIXPASA-N. The full InChI is InChI=1S/C17H26N2O4S2/c1-19(2)25(22,23)16-10-6-7-14(11-16)12-24(21)13-17(20)18-15-8-4-3-5-9-15/h6-7,10-11,15H,3-5,8-9,12-13H2,1-2H3,(H,18,20)/t24-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide?
N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide has a molecular weight of 386.54 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(R)-[3-(dimethylsulfamoyl)phenyl]methylsulfinyl]acetamide is sourced from PubChem (CID 95763029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).