2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide

C20H24N2O3S — CID 15993618

IUPAC2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2CC1C
InChIInChI=1S/C20H24N2O3S/c1-4-20(23)22-15(3)11-17-12-18(9-10-19(17)22)26(24,25)21-13-16-7-5-14(2)6-8-16/h5-10,12,15,21H,4,11,13H2,1-3H3
InChIKeyWHTQKUXKWLVVKZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.16
Rot. Bonds5

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

2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 15993618) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
PubChem CID15993618
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2CC1C
InChIInChI=1S/C20H24N2O3S/c1-4-20(23)22-15(3)11-17-12-18(9-10-19(17)22)26(24,25)21-13-16-7-5-14(2)6-8-16/h5-10,12,15,21H,4,11,13H2,1-3H3
InChIKeyWHTQKUXKWLVVKZ-UHFFFAOYSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15992072
(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1269756
2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 46252888
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methylphenyl)propanamide
CID 92688036
(2S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 92660738
N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
N-methyl-5-[(4-methylphenyl)methylsulfamoyl]-2,3-dihydroindole-1-carboxamide
CID 53059177
1-acetyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 3236116
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide (CID 15993618) is 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1c2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc2CC1C.
What is the InChIKey of 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WHTQKUXKWLVVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-20(23)22-15(3)11-17-12-18(9-10-19(17)22)26(24,25)21-13-16-7-5-14(2)6-8-16/h5-10,12,15,21H,4,11,13H2,1-3H3.
What are the key properties of 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide?
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15993618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).