N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide

C18H19N3O3S — CID 47057856

IUPACN-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C18H19N3O3S/c1-12-3-8-16-14(9-12)10-17(20-16)18(22)19-11-13-4-6-15(7-5-13)21-25(2,23)24/h3-10,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyFVHGTYHZETZNSA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.78
Rot. Bonds5

About N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide

N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 47057856) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID47057856
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C18H19N3O3S/c1-12-3-8-16-14(9-12)10-17(20-16)18(22)19-11-13-4-6-15(7-5-13)21-25(2,23)24/h3-10,20-21H,11H2,1-2H3,(H,19,22)
InChIKeyFVHGTYHZETZNSA-UHFFFAOYSA-N
XLogP2.78
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
5-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 36868472
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
N-[[4-(diethylsulfamoyl)phenyl]methyl]-6-methyl-1H-indole-2-carboxamide
CID 55559390
1-[4-(methanesulfonamido)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108875243
N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide (CID 47057856) is N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cc2c1.
What is the InChIKey of N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is FVHGTYHZETZNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-3-8-16-14(9-12)10-17(20-16)18(22)19-11-13-4-6-15(7-5-13)21-25(2,23)24/h3-10,20-21H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide?
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 47057856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).