1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide

C21H26N2O4S — CID 42933253

IUPAC1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CCOc3ccccc3C)cc2CC1C
InChIInChI=1S/C21H26N2O4S/c1-15-7-5-6-8-21(15)27-12-11-22(4)28(25,26)19-9-10-20-18(14-19)13-16(2)23(20)17(3)24/h5-10,14,16H,11-13H2,1-4H3
InChIKeyCBLPIQWAEJXVKV-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.99
Rot. Bonds6

About 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 42933253) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID42933253
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)CCOc3ccccc3C)cc2CC1C
InChIInChI=1S/C21H26N2O4S/c1-15-7-5-6-8-21(15)27-12-11-22(4)28(25,26)19-9-10-20-18(14-19)13-16(2)23(20)17(3)24/h5-10,14,16H,11-13H2,1-4H3
InChIKeyCBLPIQWAEJXVKV-UHFFFAOYSA-N
XLogP2.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 55542300
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
1-acetyl-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901824
(2S)-1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92875764
2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 41051668
1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 55627848
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435716
4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133159289

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide (CID 42933253) is 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N(C)CCOc3ccccc3C)cc2CC1C.
What is the InChIKey of 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CBLPIQWAEJXVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-7-5-6-8-21(15)27-12-11-22(4)28(25,26)19-9-10-20-18(14-19)13-16(2)23(20)17(3)24/h5-10,14,16H,11-13H2,1-4H3.
What are the key properties of 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 402.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 42933253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).