5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide

C25H25N3O3S — CID 55731282

IUPAC5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-6-13-22(32(30,31)27-20-7-8-20)16-23(17)25(29)26-19-9-11-21(12-10-19)28-15-14-18-4-2-3-5-24(18)28/h2-6,9-13,16,20,27H,7-8,14-15H2,1H3,(H,26,29)
InChIKeyYXYBWKOMPKUDMH-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.38
Rot. Bonds6

About 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide

5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide (PubChem CID 55731282) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
PubChem CID55731282
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1
InChIInChI=1S/C25H25N3O3S/c1-17-6-13-22(32(30,31)27-20-7-8-20)16-23(17)25(29)26-19-9-11-21(12-10-19)28-15-14-18-4-2-3-5-24(18)28/h2-6,9-13,16,20,27H,7-8,14-15H2,1H3,(H,26,29)
InChIKeyYXYBWKOMPKUDMH-UHFFFAOYSA-N
XLogP4.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-chlorophenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
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N-(3-amino-4-methoxyphenyl)-5-(cyclopropylsulfamoyl)-2-methylbenzamide
CID 119419615
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CID 42940847
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CID 119045157
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
2-bromo-5-(cyclopropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 30684295
5-(cyclopropylsulfamoyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylbenzamide
CID 30859946
5-(cyclopropylsulfamoyl)-N-[3-(ethylaminomethyl)phenyl]-2-methylbenzamide;hydrochloride
CID 119438257
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CID 51233854

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide (CID 55731282) is 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1ccc(N2CCc3ccccc32)cc1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide?
The InChIKey is YXYBWKOMPKUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-17-6-13-22(32(30,31)27-20-7-8-20)16-23(17)25(29)26-19-9-11-21(12-10-19)28-15-14-18-4-2-3-5-24(18)28/h2-6,9-13,16,20,27H,7-8,14-15H2,1H3,(H,26,29).
What are the key properties of 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide?
5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide has a molecular weight of 447.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-N-[4-(2,3-dihydroindol-1-yl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 55731282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).