N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide

C18H27N3O3S — CID 119465253

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CC2C2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S/c19-9-10-20-25(23,24)15-8-4-7-14(11-15)21-18(22)17-12-16(17)13-5-2-1-3-6-13/h4,7-8,11,13,16-17,20H,1-3,5-6,9-10,12,19H2,(H,21,22)
InChIKeyVKLVHGTXNMFMML-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.08
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide (PubChem CID 119465253) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
PubChem CID119465253
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
SMILESNCCNS(=O)(=O)c1cccc(NC(=O)C2CC2C2CCCCC2)c1
InChIInChI=1S/C18H27N3O3S/c19-9-10-20-25(23,24)15-8-4-7-14(11-15)21-18(22)17-12-16(17)13-5-2-1-3-6-13/h4,7-8,11,13,16-17,20H,1-3,5-6,9-10,12,19H2,(H,21,22)
InChIKeyVKLVHGTXNMFMML-UHFFFAOYSA-N
XLogP2.08
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,3-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119466084
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465724
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119465816
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-cyclopentylpropanamide;hydrochloride
CID 119260164
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 119465895
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
2-[3-[(2-cyclohexylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351630
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119465619
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide (CID 119465253) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide is NCCNS(=O)(=O)c1cccc(NC(=O)C2CC2C2CCCCC2)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide?
The InChIKey is VKLVHGTXNMFMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c19-9-10-20-25(23,24)15-8-4-7-14(11-15)21-18(22)17-12-16(17)13-5-2-1-3-6-13/h4,7-8,11,13,16-17,20H,1-3,5-6,9-10,12,19H2,(H,21,22).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide is sourced from PubChem (CID 119465253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).