N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide

C18H21N3O4S — CID 142032414

IUPACN-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2c3cc(S(N)(=O)=O)ccc3CC2C)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-25-15-7-5-14(6-8-15)20-18(22)21-12(2)10-13-4-9-16(11-17(13)21)26(19,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyDRHYIUBIPXJYFI-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.72
Rot. Bonds4

About N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide

N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide (PubChem CID 142032414) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
PubChem CID142032414
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2c3cc(S(N)(=O)=O)ccc3CC2C)cc1
InChIInChI=1S/C18H21N3O4S/c1-3-25-15-7-5-14(6-8-15)20-18(22)21-12(2)10-13-4-9-16(11-17(13)21)26(19,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)(H2,19,23,24)
InChIKeyDRHYIUBIPXJYFI-UHFFFAOYSA-N
XLogP2.72
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
N-(4-ethoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108514504
(2S)-N-(4-ethoxyphenyl)-2-methyl-2,3-dihydroindole-1-carbothioamide
CID 7733596
2-methyl-N-(3,4,5-triethoxyphenyl)-2,3-dihydroindole-1-carboxamide
CID 108869872
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-sulfamoylbenzoate
CID 7994120
N-[(4-ethoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 108884531
6-(benzylsulfamoyl)-2-methyl-N-(4-morpholin-4-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 142032448
2-methyl-N-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindole-1-carboxamide
CID 142032467
(2S)-2-methyl-N-(4-sulfamoylphenyl)-2,3-dihydroindole-1-carbothioamide
CID 972032
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 31462088
3-(4-ethoxyanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109039966

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide (CID 142032414) is N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide is CCOc1ccc(NC(=O)N2c3cc(S(N)(=O)=O)ccc3CC2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is DRHYIUBIPXJYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-3-25-15-7-5-14(6-8-15)20-18(22)21-12(2)10-13-4-9-16(11-17(13)21)26(19,23)24/h4-9,11-12H,3,10H2,1-2H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-6-sulfamoyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142032414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).