4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide

C20H24N2O3S — CID 110623662

IUPAC4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
SMILESCc1ccccc1CCCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C20H24N2O3S/c1-15-6-3-4-7-16(15)8-5-9-20(23)21-18-11-10-17-12-13-22(19(17)14-18)26(2,24)25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,21,23)
InChIKeyPJSONXAJBCQHDP-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.28
Rot. Bonds6

About 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide

4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide (PubChem CID 110623662) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
PubChem CID110623662
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
SMILESCc1ccccc1CCCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2
InChIInChI=1S/C20H24N2O3S/c1-15-6-3-4-7-16(15)8-5-9-20(23)21-18-11-10-17-12-13-22(19(17)14-18)26(2,24)25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,21,23)
InChIKeyPJSONXAJBCQHDP-UHFFFAOYSA-N
XLogP3.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623667
1-(2-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386198
3-(2-fluorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)propanamide
CID 110623465
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 100793868
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110606337
1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386232
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-pyridin-3-ylbutanamide
CID 110623293

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The IUPAC name of 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide (CID 110623662) is 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The canonical SMILES for 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide is Cc1ccccc1CCCC(=O)Nc1ccc2c(c1)N(S(C)(=O)=O)CC2.
What is the InChIKey of 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The InChIKey is PJSONXAJBCQHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-6-3-4-7-16(15)8-5-9-20(23)21-18-11-10-17-12-13-22(19(17)14-18)26(2,24)25/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3,(H,21,23).
What are the key properties of 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide has a molecular weight of 372.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 110623662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).