N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide

C18H21N3O3S — CID 53059177

IUPACN-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H21N3O3S/c1-13-3-5-14(6-4-13)12-20-25(23,24)16-7-8-17-15(11-16)9-10-21(17)18(22)19-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyJBGNTPIEUGDTPV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.18
Rot. Bonds4

About N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide

N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 53059177) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
PubChem CID53059177
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC NameN-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
SMILESCNC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C18H21N3O3S/c1-13-3-5-14(6-4-13)12-20-25(23,24)16-7-8-17-15(11-16)9-10-21(17)18(22)19-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyJBGNTPIEUGDTPV-UHFFFAOYSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
5-[5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 4120901
N-[(4-methylphenyl)methyl]-1-(4-oxo-4-piperidin-1-ylbutanoyl)-2,3-dihydroindole-5-sulfonamide
CID 53025447
5-[[(2S)-butan-2-yl]sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 93065305
5-[(2-bromo-4-methylphenyl)sulfamoyl]-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53059187
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719
3,4-dimethoxy-N-[[1-(4-methylbenzoyl)-2,3-dihydroindol-5-yl]methyl]benzenesulfonamide
CID 53092532
N-cyclohexyl-5-[(3-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059167
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
5-(cyclohexylsulfamoyl)-N-methyl-2,3-dihydroindole-1-carboxamide
CID 53005237
5-[(4-methylphenyl)sulfamoyl]-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059050

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide (CID 53059177) is N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide is CNC(=O)N1CCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21.
What is the InChIKey of N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is JBGNTPIEUGDTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-13-3-5-14(6-4-13)12-20-25(23,24)16-7-8-17-15(11-16)9-10-21(17)18(22)19-2/h3-8,11,20H,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide?
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53059177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).