1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C28H33N3O8S2 — CID 43897410

IUPAC1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H33N3O8S2/c1-6-39-22-9-7-21(8-10-22)31(41(35,36)24-12-14-26(37-4)27(18-24)38-5)19-28(32)30-16-15-20-17-23(11-13-25(20)30)40(33,34)29(2)3/h7-14,17-18H,6,15-16,19H2,1-5H3
InChIKeySQLNALBIBSHZTA-UHFFFAOYSA-N
MW603.72 g/mol
LogP3.14
Rot. Bonds11

About 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 43897410) has the molecular formula C28H33N3O8S2 and a molecular weight of 603.72 g/mol. Its IUPAC name is 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID43897410
Molecular FormulaC28H33N3O8S2
Molecular Weight603.72 g/mol
Exact Mass603.17
IUPAC Name1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCCOc1ccc(N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C28H33N3O8S2/c1-6-39-22-9-7-21(8-10-22)31(41(35,36)24-12-14-26(37-4)27(18-24)38-5)19-28(32)30-16-15-20-17-23(11-13-25(20)30)40(33,34)29(2)3/h7-14,17-18H,6,15-16,19H2,1-5H3
InChIKeySQLNALBIBSHZTA-UHFFFAOYSA-N
XLogP3.14
TPSA122.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.72
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-[2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43898779
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43900934
N-(4-ethoxyphenyl)-3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 4518624
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
1-[2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892143
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 92671711
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-ethoxyphenyl)acetamide
CID 53280603
N-cyclopentyl-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 2927933
1-[2-[N-(benzenesulfonyl)-3-bromoanilino]acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 43892289
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(2-methylpropyl)acetamide
CID 53280494
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502251
N-[(4-tert-butylcyclohexylidene)amino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126035261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 43897410) is 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CCOc1ccc(N(CC(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SQLNALBIBSHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O8S2/c1-6-39-22-9-7-21(8-10-22)31(41(35,36)24-12-14-26(37-4)27(18-24)38-5)19-28(32)30-16-15-20-17-23(11-13-25(20)30)40(33,34)29(2)3/h7-14,17-18H,6,15-16,19H2,1-5H3.
What are the key properties of 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 603.72 g/mol, XLogP of 3.14, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 43897410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).