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

C19H21ClN2O3S — CID 110623667

IUPAC4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)CCCc3cccc(Cl)c3)cc21
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22-11-10-15-8-9-17(13-18(15)22)21-19(23)7-3-5-14-4-2-6-16(20)12-14/h2,4,6,8-9,12-13H,3,5,7,10-11H2,1H3,(H,21,23)
InChIKeyJIFYTRZCJNTTOV-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.62
Rot. Bonds6

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

4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide (PubChem CID 110623667) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
PubChem CID110623667
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
SMILESCS(=O)(=O)N1CCc2ccc(NC(=O)CCCc3cccc(Cl)c3)cc21
InChIInChI=1S/C19H21ClN2O3S/c1-26(24,25)22-11-10-15-8-9-17(13-18(15)22)21-19(23)7-3-5-14-4-2-6-16(20)12-14/h2,4,6,8-9,12-13H,3,5,7,10-11H2,1H3,(H,21,23)
InChIKeyJIFYTRZCJNTTOV-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylphenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide
CID 110623662
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
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
1-(2-methylpropyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386241
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
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
1-(4-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-6-yl)urea
CID 46386236
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)-3-phenylpropanamide
CID 110412876
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)furan-2-carboxamide
CID 7517878

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide (CID 110623667) is 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide is CS(=O)(=O)N1CCc2ccc(NC(=O)CCCc3cccc(Cl)c3)cc21.
What is the InChIKey of 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
The InChIKey is JIFYTRZCJNTTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-26(24,25)22-11-10-15-8-9-17(13-18(15)22)21-19(23)7-3-5-14-4-2-6-16(20)12-14/h2,4,6,8-9,12-13H,3,5,7,10-11H2,1H3,(H,21,23).
What are the key properties of 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide?
4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide has a molecular weight of 392.91 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(1-methylsulfonyl-2,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 110623667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).