3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide

C21H24N2O5S — CID 20914857

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-14(12-21(25)22-17-4-6-18(28-3)7-5-17)29(26,27)19-8-9-20-16(13-19)10-11-23(20)15(2)24/h4-9,13-14H,10-12H2,1-3H3,(H,22,25)
InChIKeyPSVJMXVDGQEMPZ-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.80
Rot. Bonds6

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide (PubChem CID 20914857) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
PubChem CID20914857
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C21H24N2O5S/c1-14(12-21(25)22-17-4-6-18(28-3)7-5-17)29(26,27)19-8-9-20-16(13-19)10-11-23(20)15(2)24/h4-9,13-14H,10-12H2,1-3H3,(H,22,25)
InChIKeyPSVJMXVDGQEMPZ-UHFFFAOYSA-N
XLogP2.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
CID 92742849
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 20914890
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
CID 46276873
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-chlorophenyl)butanamide
CID 46276882
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-4-methylpentanamide
CID 20856205
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)butanamide
CID 20914862
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637691
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 24510031
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide
CID 92708703

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide (CID 20914857) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)CC(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide?
The InChIKey is PSVJMXVDGQEMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-14(12-21(25)22-17-4-6-18(28-3)7-5-17)29(26,27)19-8-9-20-16(13-19)10-11-23(20)15(2)24/h4-9,13-14H,10-12H2,1-3H3,(H,22,25).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide has a molecular weight of 416.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 20914857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).