1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

C22H26N2O5S — CID 53105742

IUPAC1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-22(2)13-24(21(25)14-5-6-14)19-10-8-16(12-17(19)22)30(26,27)23-18-9-7-15(28-3)11-20(18)29-4/h7-12,14,23H,5-6,13H2,1-4H3
InChIKeyIVQWUQRBAAJSNR-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.54
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (PubChem CID 53105742) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
PubChem CID53105742
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC Name1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-22(2)13-24(21(25)14-5-6-14)19-10-8-16(12-17(19)22)30(26,27)23-18-9-7-15(28-3)11-20(18)29-4/h7-12,14,23H,5-6,13H2,1-4H3
InChIKeyIVQWUQRBAAJSNR-UHFFFAOYSA-N
XLogP3.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105806
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-2H-indole-5-sulfonamide
CID 53105827
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105815
N-(4-methoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105628
N-[(2-chlorophenyl)methyl]-1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105751
1-(cyclopropanecarbonyl)-3,3-dimethyl-N-(pyridin-3-ylmethyl)-2H-indole-5-sulfonamide
CID 53105744
N-(3,5-dimethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105642
1-acetyl-N-(2-bromo-4-methylphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105564
N-(2-ethoxyphenyl)-3,3-dimethyl-1-(2-methylpropanoyl)-2H-indole-5-sulfonamide
CID 53105705
ethyl 1-[[1-(cyclopropanecarbonyl)-3,3-dimethyl-2H-indol-5-yl]sulfonyl]piperidine-4-carboxylate
CID 53105768
1-acetyl-N-[(3-methoxyphenyl)methyl]-3,3-dimethyl-2H-indole-5-sulfonamide
CID 53105579
1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361770

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide (CID 53105742) is 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)CN3C(=O)C2CC2)c(OC)c1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
The InChIKey is IVQWUQRBAAJSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-22(2)13-24(21(25)14-5-6-14)19-10-8-16(12-17(19)22)30(26,27)23-18-9-7-15(28-3)11-20(18)29-4/h7-12,14,23H,5-6,13H2,1-4H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2,4-dimethoxyphenyl)-3,3-dimethyl-2H-indole-5-sulfonamide is sourced from PubChem (CID 53105742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).