4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide

C21H26N2O4S — CID 140990194

IUPAC4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C21H26N2O4S/c1-5-21(2,3)22-20(24)16-10-11-19(18(14-16)27-4)28(25,26)23-13-12-15-8-6-7-9-17(15)23/h6-11,14H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyQEOWNROGDNOKHU-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.37
Rot. Bonds6

About 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide

4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide (PubChem CID 140990194) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide
PubChem CID140990194
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)c(OC)c1
InChIInChI=1S/C21H26N2O4S/c1-5-21(2,3)22-20(24)16-10-11-19(18(14-16)27-4)28(25,26)23-13-12-15-8-6-7-9-17(15)23/h6-11,14H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyQEOWNROGDNOKHU-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide with MolForge

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Related Compounds

N-(2-aminoethyl)-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 119383156
3,4-dimethoxy-N-(2-methylbutan-2-yl)benzamide
CID 3297993
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 3997114
3-(azepan-1-ylsulfonyl)-4-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 26880737
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-ethylpent-1-yn-3-yl)benzamide
CID 7924074
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propoxyphenyl)benzamide
CID 26898070
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 26241457
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 43046318
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
1-(5-bromo-2-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3779020
4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 55916648

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide (CID 140990194) is 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)c(OC)c1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is QEOWNROGDNOKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-5-21(2,3)22-20(24)16-10-11-19(18(14-16)27-4)28(25,26)23-13-12-15-8-6-7-9-17(15)23/h6-11,14H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide?
4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylsulfonyl)-3-methoxy-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 140990194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).