4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide

C21H26N2O4S — CID 133159289

IUPAC4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3CC2C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-5-27-20-11-10-18(12-15(20)2)28(25,26)22(4)14-21(24)23-16(3)13-17-8-6-7-9-19(17)23/h6-12,16H,5,13-14H2,1-4H3
InChIKeyBTLBVDJEMJWIJX-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.99
Rot. Bonds6

About 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide

4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 133159289) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID133159289
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3CC2C)cc1C
InChIInChI=1S/C21H26N2O4S/c1-5-27-20-11-10-18(12-15(20)2)28(25,26)22(4)14-21(24)23-16(3)13-17-8-6-7-9-19(17)23/h6-12,16H,5,13-14H2,1-4H3
InChIKeyBTLBVDJEMJWIJX-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

N,N,3-trimethyl-4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzenesulfonamide
CID 133239000
4-methoxy-3-methyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-phenylbenzenesulfonamide
CID 43900251
4-ethoxy-N-ethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 133180016
3-chloro-N-ethyl-4-methoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049653
N-[2-(azepan-1-yl)-2-oxoethyl]-4-ethoxy-N,3-dimethylbenzenesulfonamide
CID 45373770
5-chloro-2-methoxy-N-methyl-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125047772
methyl 4-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 133159296
N-benzyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125049208
3,4-dimethoxy-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-N-(2-phenylethyl)benzenesulfonamide
CID 133179743
N-cyclohexyl-4-ethoxy-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]benzenesulfonamide
CID 125048768
2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-N-phenylacetamide
CID 2993335
4-methoxy-N,N-dimethyl-3-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]benzenesulfonamide
CID 133178573

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide (CID 133159289) is 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)N2c3ccccc3CC2C)cc1C.
What is the InChIKey of 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is BTLBVDJEMJWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-27-20-11-10-18(12-15(20)2)28(25,26)22(4)14-21(24)23-16(3)13-17-8-6-7-9-19(17)23/h6-12,16H,5,13-14H2,1-4H3.
What are the key properties of 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide?
4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide 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 4-ethoxy-N,3-dimethyl-N-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 133159289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).