N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

C23H29N3O6S — CID 39898700

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)ccc1C
InChIInChI=1S/C23H29N3O6S/c1-7-26(8-2)33(28,29)20-11-15(10-9-14(20)3)24-23(27)17-12-16-18(30-4)13-19(31-5)22(32-6)21(16)25-17/h9-13,25H,7-8H2,1-6H3,(H,24,27)
InChIKeySRBBDLGXZXDKNG-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.78
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (PubChem CID 39898700) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
PubChem CID39898700
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)ccc1C
InChIInChI=1S/C23H29N3O6S/c1-7-26(8-2)33(28,29)20-11-15(10-9-14(20)3)24-23(27)17-12-16-18(30-4)13-19(31-5)22(32-6)21(16)25-17/h9-13,25H,7-8H2,1-6H3,(H,24,27)
InChIKeySRBBDLGXZXDKNG-UHFFFAOYSA-N
XLogP3.78
TPSA109.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,6,7-trimethoxy-N-[4-(propanoylamino)phenyl]-1H-indole-2-carboxamide
CID 55847127
N-(3-amino-4-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 119420241
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-(5-acetamido-2-methoxyphenyl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 26243070
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
N-(1,3-benzodioxol-5-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 39877251
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
4,6,7-trimethoxy-N-[4-methyl-3-(5-methyltetrazol-1-yl)phenyl]-1H-indole-2-carboxamide
CID 56521176
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide (CID 39898700) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
The InChIKey is SRBBDLGXZXDKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-7-26(8-2)33(28,29)20-11-15(10-9-14(20)3)24-23(27)17-12-16-18(30-4)13-19(31-5)22(32-6)21(16)25-17/h9-13,25H,7-8H2,1-6H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 39898700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).