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

C22H25N3O5S — CID 92742849

IUPAC(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-14(12-22(28)24-19-6-4-18(5-7-19)23-15(2)26)31(29,30)20-8-9-21-17(13-20)10-11-25(21)16(3)27/h4-9,13-14H,10-12H2,1-3H3,(H,23,26)(H,24,28)/t14-/m1/s1
InChIKeyNFKYUEAAIQUTGI-CQSZACIVSA-N
MW443.53 g/mol
LogP2.74
Rot. Bonds6

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

(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide (PubChem CID 92742849) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide.

Molecular Properties

Compound Name(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
PubChem CID92742849
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
SMILESCC(=O)Nc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-14(12-22(28)24-19-6-4-18(5-7-19)23-15(2)26)31(29,30)20-8-9-21-17(13-20)10-11-25(21)16(3)27/h4-9,13-14H,10-12H2,1-3H3,(H,23,26)(H,24,28)/t14-/m1/s1
InChIKeyNFKYUEAAIQUTGI-CQSZACIVSA-N
XLogP2.74
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
CID 20914857
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
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)butanamide
CID 20914862
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(2-methylbutan-2-yl)butanamide
CID 92708703
(3S)-N-cyclooctyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708682
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
(3S)-N-(2-chloro-4-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708715
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide?
The IUPAC name of (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide (CID 92742849) is (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide.
What is the SMILES notation for (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide?
The canonical SMILES for (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide is CC(=O)Nc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide?
The InChIKey is NFKYUEAAIQUTGI-CQSZACIVSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-14(12-22(28)24-19-6-4-18(5-7-19)23-15(2)26)31(29,30)20-8-9-21-17(13-20)10-11-25(21)16(3)27/h4-9,13-14H,10-12H2,1-3H3,(H,23,26)(H,24,28)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide?
(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide has a molecular weight of 443.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide is sourced from PubChem (CID 92742849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).