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

C19H23N3O3S — CID 119465831

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C19H23N3O3S/c1-13-5-2-3-8-16(13)17-12-18(17)19(23)22-14-6-4-7-15(11-14)26(24,25)21-10-9-20/h2-8,11,17-18,21H,9-10,12,20H2,1H3,(H,22,23)
InChIKeyAFCLTOGZXBFEIG-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.97
Rot. Bonds7

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

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 119465831) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID119465831
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1C1CC1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C19H23N3O3S/c1-13-5-2-3-8-16(13)17-12-18(17)19(23)22-14-6-4-7-15(11-14)26(24,25)21-10-9-20/h2-8,11,17-18,21H,9-10,12,20H2,1H3,(H,22,23)
InChIKeyAFCLTOGZXBFEIG-UHFFFAOYSA-N
XLogP1.97
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253
N-[3-(2-aminoethylsulfamoyl)phenyl]cyclobutanecarboxamide;hydrochloride
CID 119465742
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-2-(2-methylphenyl)propanamide;hydrochloride
CID 119465694
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
(4R)-N-[3-(2-aminoethylsulfamoyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119465982
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119466007
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
N-[3-(2-aminoethylsulfamoyl)phenyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119465619

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 119465831) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is Cc1ccccc1C1CC1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is AFCLTOGZXBFEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-5-2-3-8-16(13)17-12-18(17)19(23)22-14-6-4-7-15(11-14)26(24,25)21-10-9-20/h2-8,11,17-18,21H,9-10,12,20H2,1H3,(H,22,23).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 1.97, 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-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119465831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).