(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide

C23H28N2O4S — CID 92742806

IUPAC(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1
InChIInChI=1S/C23H28N2O4S/c1-5-24(20-8-6-7-16(2)13-20)23(27)14-17(3)30(28,29)21-9-10-22-19(15-21)11-12-25(22)18(4)26/h6-10,13,15,17H,5,11-12,14H2,1-4H3/t17-/m0/s1
InChIKeyMSWHLZYGTPVRKW-KRWDZBQOSA-N
MW428.55 g/mol
LogP3.51
Rot. Bonds6

About (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide

(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide (PubChem CID 92742806) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide
PubChem CID92742806
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide
SMILESCCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1
InChIInChI=1S/C23H28N2O4S/c1-5-24(20-8-6-7-16(2)13-20)23(27)14-17(3)30(28,29)21-9-10-22-19(15-21)11-12-25(22)18(4)26/h6-10,13,15,17H,5,11-12,14H2,1-4H3/t17-/m0/s1
InChIKeyMSWHLZYGTPVRKW-KRWDZBQOSA-N
XLogP3.51
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-ethyl-N-phenylbutanamide
CID 20950710
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-benzyl-N-ethylbutanamide
CID 46276880
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
(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-(2-chlorophenyl)butanamide
CID 46276882
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
CID 20914857
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
CID 46276873
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-(6-ethylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 117031946

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide?
The IUPAC name of (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide (CID 92742806) is (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide.
What is the SMILES notation for (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide?
The canonical SMILES for (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide is CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1.
What is the InChIKey of (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide?
The InChIKey is MSWHLZYGTPVRKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-5-24(20-8-6-7-16(2)13-20)23(27)14-17(3)30(28,29)21-9-10-22-19(15-21)11-12-25(22)18(4)26/h6-10,13,15,17H,5,11-12,14H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide?
(3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide has a molecular weight of 428.55 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-ethyl-N-(3-methylphenyl)butanamide is sourced from PubChem (CID 92742806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).