1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide

C22H25N3O4S — CID 20901814

IUPAC1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2CC1C
InChIInChI=1S/C22H25N3O4S/c1-15-12-18-13-19(8-9-21(18)25(15)16(2)26)30(28,29)23(3)14-22(27)24-11-10-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12,14H2,1-3H3
InChIKeyFZGPEKMYIIEJIW-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.19
Rot. Bonds4

About 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20901814) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20901814
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2CC1C
InChIInChI=1S/C22H25N3O4S/c1-15-12-18-13-19(8-9-21(18)25(15)16(2)26)30(28,29)23(3)14-22(27)24-11-10-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12,14H2,1-3H3
InChIKeyFZGPEKMYIIEJIW-UHFFFAOYSA-N
XLogP2.19
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901749
1-(cyclobutanecarbonyl)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20911763
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
1-acetyl-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901824
1-acetyl-N,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901839
1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 15997280
1-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 20909681
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 20901814) is 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2CC1C.
What is the InChIKey of 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FZGPEKMYIIEJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-15-12-18-13-19(8-9-21(18)25(15)16(2)26)30(28,29)23(3)14-22(27)24-11-10-17-6-4-5-7-20(17)24/h4-9,13,15H,10-12,14H2,1-3H3.
What are the key properties of 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20901814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).