cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone

C16H24N2O4S — CID 110613398

IUPACcyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone
SMILESCCNS(=O)(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H24N2O4S/c1-3-17-23(20,21)18-14-11-13(9-10-15(14)22-2)16(19)12-7-5-4-6-8-12/h9-12,17-18H,3-8H2,1-2H3
InChIKeyBECOOJSWKTZCJW-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.72
Rot. Bonds7

About cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone

cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone (PubChem CID 110613398) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone
PubChem CID110613398
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Namecyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone
SMILESCCNS(=O)(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC
InChIInChI=1S/C16H24N2O4S/c1-3-17-23(20,21)18-14-11-13(9-10-15(14)22-2)16(19)12-7-5-4-6-8-12/h9-12,17-18H,3-8H2,1-2H3
InChIKeyBECOOJSWKTZCJW-UHFFFAOYSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
CID 172702212
N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
CID 110427164
5-(cyclopropanecarbonyl)-2-methoxy-N-propylbenzenesulfonamide
CID 39416904
4-methoxy-3-(2,2,2-trifluoroethylsulfamoylamino)benzoic acid
CID 114806155
5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(ethylsulfamoyl)-2-methoxyaniline
CID 110624195
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
5-(cyclopropanecarbonyl)-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 39450572
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
N-(4-chloro-2,5-dimethoxyphenyl)-4-(cyclopropanecarbonyl)benzenesulfonamide
CID 110427928
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
methyl 4-methoxy-3-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]benzoate
CID 3408360
methyl 3-(benzenesulfonamido)-4-methoxybenzoate
CID 3804370

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone?
The IUPAC name of cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone (CID 110613398) is cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone.
What is the SMILES notation for cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone?
The canonical SMILES for cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone is CCNS(=O)(=O)Nc1cc(C(=O)C2CCCCC2)ccc1OC.
What is the InChIKey of cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone?
The InChIKey is BECOOJSWKTZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-17-23(20,21)18-14-11-13(9-10-15(14)22-2)16(19)12-7-5-4-6-8-12/h9-12,17-18H,3-8H2,1-2H3.
What are the key properties of cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone?
cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone has a molecular weight of 340.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-(ethylsulfamoylamino)-4-methoxyphenyl]methanone is sourced from PubChem (CID 110613398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).