1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide

C19H23N3O3S — CID 55864125

IUPAC1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(C)c(N(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C19H23N3O3S/c1-13-4-5-14(2)18(10-13)21(3)12-19(23)22-9-8-15-11-16(26(20,24)25)6-7-17(15)22/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,24,25)
InChIKeyJFLGGSHKZHRKOG-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.98
Rot. Bonds4

About 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55864125) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55864125
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(C)c(N(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1
InChIInChI=1S/C19H23N3O3S/c1-13-4-5-14(2)18(10-13)21(3)12-19(23)22-9-8-15-11-16(26(20,24)25)6-7-17(15)22/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,24,25)
InChIKeyJFLGGSHKZHRKOG-UHFFFAOYSA-N
XLogP1.98
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-[2-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16576253
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-(2,5-dimethylphenyl)methanesulfonamide
CID 113142179
1-[2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55628044
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-[2-[benzyl(1-cyclopropylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 46402686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55864125) is 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide is Cc1ccc(C)c(N(C)CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)c1.
What is the InChIKey of 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JFLGGSHKZHRKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-4-5-14(2)18(10-13)21(3)12-19(23)22-9-8-15-11-16(26(20,24)25)6-7-17(15)22/h4-7,10-11H,8-9,12H2,1-3H3,(H2,20,24,25).
What are the key properties of 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N,2,5-trimethylanilino)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55864125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).