N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide

C20H31N3O4S — CID 55805923

IUPACN-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-3-23(4-2)28(26,27)18-12-10-17(11-13-18)20(25)22-15-14-21-19(24)16-8-6-5-7-9-16/h10-13,16H,3-9,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVKYJSRXLTHXDKJ-UHFFFAOYSA-N
MW409.55 g/mol
LogP2.14
Rot. Bonds9

About N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide

N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 55805923) has the molecular formula C20H31N3O4S and a molecular weight of 409.55 g/mol. Its IUPAC name is N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID55805923
Molecular FormulaC20H31N3O4S
Molecular Weight409.55 g/mol
Exact Mass409.20
IUPAC NameN-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C20H31N3O4S/c1-3-23(4-2)28(26,27)18-12-10-17(11-13-18)20(25)22-15-14-21-19(24)16-8-6-5-7-9-16/h10-13,16H,3-9,14-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVKYJSRXLTHXDKJ-UHFFFAOYSA-N
XLogP2.14
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexanecarbonylamino)ethyl]-4-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 55805978
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N-[2-(cyclohexanecarbonylamino)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55854015
N-[3-(cyclopropylmethoxy)propyl]-4-(diethylsulfamoyl)benzamide
CID 31737121
4-(diethylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512422
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201
1-[[[4-(diethylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544176
4-(diethylsulfamoyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]benzamide
CID 8839766
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(difluoromethylsulfonyl)benzamide
CID 51152969

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide (CID 55805923) is N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCNC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is VKYJSRXLTHXDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4S/c1-3-23(4-2)28(26,27)18-12-10-17(11-13-18)20(25)22-15-14-21-19(24)16-8-6-5-7-9-16/h10-13,16H,3-9,14-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide?
N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 409.55 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexanecarbonylamino)ethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 55805923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).