N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide

C19H30N2O5S2 — CID 124736707

IUPACN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1
InChIInChI=1S/C19H30N2O5S2/c1-14(2)21(4)28(25,26)16-10-8-9-15(13-16)19(22)20(3)17-11-6-7-12-18(17)27(5,23)24/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3/t17-,18-/m1/s1
InChIKeyPCDWNCKINLERJN-QZTJIDSGSA-N
MW430.59 g/mol
LogP2.14
Rot. Bonds6

About N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide

N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide (PubChem CID 124736707) has the molecular formula C19H30N2O5S2 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
PubChem CID124736707
Molecular FormulaC19H30N2O5S2
Molecular Weight430.59 g/mol
Exact Mass430.16
IUPAC NameN-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1
InChIInChI=1S/C19H30N2O5S2/c1-14(2)21(4)28(25,26)16-10-8-9-15(13-16)19(22)20(3)17-11-6-7-12-18(17)27(5,23)24/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3/t17-,18-/m1/s1
InChIKeyPCDWNCKINLERJN-QZTJIDSGSA-N
XLogP2.14
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl-[(1S,2S)-2-methylsulfonylcyclohexyl]carbamoyl]benzoic acid
CID 125132908
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 98771871
N-ethyl-N-methyl-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134023630
4-fluoro-3-methoxy-N-methyl-N-(2-methylsulfonylcyclohexyl)benzamide
CID 122145136
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
3-(azepane-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 35810133
N-methyl-N-[(1S,2S)-2-methylsulfonylcyclohexyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 97085588
3-[cyclohexyl(methyl)sulfamoyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442993
N-(3-cyclohexyloxypropyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 31719960
5-[methyl-[(1S,2R)-2-methylsulfonylcyclohexyl]carbamoyl]pyridine-2-carboxylic acid
CID 125119082
[2-(cyclopentylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753771
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methyl-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119436148

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide?
The IUPAC name of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide (CID 124736707) is N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide.
What is the SMILES notation for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide?
The canonical SMILES for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1.
What is the InChIKey of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide?
The InChIKey is PCDWNCKINLERJN-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H30N2O5S2/c1-14(2)21(4)28(25,26)16-10-8-9-15(13-16)19(22)20(3)17-11-6-7-12-18(17)27(5,23)24/h8-10,13-14,17-18H,6-7,11-12H2,1-5H3/t17-,18-/m1/s1.
What are the key properties of N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide?
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide has a molecular weight of 430.59 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[(1R,2R)-2-methylsulfonylcyclohexyl]benzamide is sourced from PubChem (CID 124736707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).