(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate

C15H22N2O4S — CID 37231729

IUPAC(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate
SMILESCC(=O)Nc1ccccc1OS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-12(18)16-14-10-6-7-11-15(14)21-22(19,20)17(2)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyXAMYQDJYOLOUES-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.53
Rot. Bonds5

About (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate

(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate (PubChem CID 37231729) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate.

Molecular Properties

Compound Name(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate
PubChem CID37231729
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate
SMILESCC(=O)Nc1ccccc1OS(=O)(=O)N(C)C1CCCCC1
InChIInChI=1S/C15H22N2O4S/c1-12(18)16-14-10-6-7-11-15(14)21-22(19,20)17(2)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,16,18)
InChIKeyXAMYQDJYOLOUES-UHFFFAOYSA-N
XLogP2.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
(2-acetamidophenyl) 2-(trifluoromethyl)benzenesulfonate
CID 7938070
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
3-[acetyl(cyclohexyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113116636
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55626263
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113159539
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
(2-acetamidophenyl) hypochlorite
CID 150463309
N-(2-acetamidophenyl)-2,2-dicyclohexylacetamide
CID 11175727

Frequently Asked Questions

What is the IUPAC name of (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate?
The IUPAC name of (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate (CID 37231729) is (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate.
What is the SMILES notation for (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate?
The canonical SMILES for (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate is CC(=O)Nc1ccccc1OS(=O)(=O)N(C)C1CCCCC1.
What is the InChIKey of (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate?
The InChIKey is XAMYQDJYOLOUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-12(18)16-14-10-6-7-11-15(14)21-22(19,20)17(2)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,16,18).
What are the key properties of (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate?
(2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate has a molecular weight of 326.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamidophenyl) N-cyclohexyl-N-methylsulfamate is sourced from PubChem (CID 37231729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).