3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide

C22H27N3O4S — CID 92687871

IUPAC3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1
InChIInChI=1S/C22H27N3O4S/c1-4-17-6-5-7-19(13-17)24-22(27)10-11-23-30(28,29)20-8-9-21-18(14-20)12-15(2)25(21)16(3)26/h5-9,13-15,23H,4,10-12H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyWGPCCPKRQCVJMU-HNNXBMFYSA-N
MW429.54 g/mol
LogP2.85
Rot. Bonds7

About 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide (PubChem CID 92687871) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
PubChem CID92687871
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide
SMILESCCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1
InChIInChI=1S/C22H27N3O4S/c1-4-17-6-5-7-19(13-17)24-22(27)10-11-23-30(28,29)20-8-9-21-18(14-20)12-15(2)25(21)16(3)26/h5-9,13-15,23H,4,10-12H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeyWGPCCPKRQCVJMU-HNNXBMFYSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
CID 24791899
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 46274855
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687784
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 92687783
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 92687789
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 92504991

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide?
The IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide (CID 92687871) is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide.
What is the SMILES notation for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide?
The canonical SMILES for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide is CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1.
What is the InChIKey of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide?
The InChIKey is WGPCCPKRQCVJMU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-4-17-6-5-7-19(13-17)24-22(27)10-11-23-30(28,29)20-8-9-21-18(14-20)12-15(2)25(21)16(3)26/h5-9,13-15,23H,4,10-12H2,1-3H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide?
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide has a molecular weight of 429.54 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-ethylphenyl)propanamide is sourced from PubChem (CID 92687871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).