3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

C24H29N3O4S — CID 92687874

IUPAC3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCc4ccccc43)cc2C[C@@H]1C
InChIInChI=1S/C24H29N3O4S/c1-16-14-19-15-20(10-11-23(19)27(16)17(2)28)32(30,31)25-13-12-24(29)26-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,15-16,22,25H,5,7,9,12-14H2,1-2H3,(H,26,29)/t16-,22+/m0/s1
InChIKeyKNLVWLGNYIOLCJ-KSFYIVLOSA-N
MW455.58 g/mol
LogP2.85
Rot. Bonds6

About 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (PubChem CID 92687874) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.

Molecular Properties

Compound Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
PubChem CID92687874
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCc4ccccc43)cc2C[C@@H]1C
InChIInChI=1S/C24H29N3O4S/c1-16-14-19-15-20(10-11-23(19)27(16)17(2)28)32(30,31)25-13-12-24(29)26-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,15-16,22,25H,5,7,9,12-14H2,1-2H3,(H,26,29)/t16-,22+/m0/s1
InChIKeyKNLVWLGNYIOLCJ-KSFYIVLOSA-N
XLogP2.85
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
3-[(4-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 35805221
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-phenylethyl)propanamide
CID 92687862
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclohexyl-N-methylpropanamide
CID 24793666
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2468063
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-acetylphenyl)propanamide
CID 46274810
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120722274
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 92687907
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

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The IUPAC name of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide (CID 92687874) is 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide.
What is the SMILES notation for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The canonical SMILES for 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is CC(=O)N1c2ccc(S(=O)(=O)NCCC(=O)N[C@@H]3CCCc4ccccc43)cc2C[C@@H]1C.
What is the InChIKey of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
The InChIKey is KNLVWLGNYIOLCJ-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-16-14-19-15-20(10-11-23(19)27(16)17(2)28)32(30,31)25-13-12-24(29)26-22-9-5-7-18-6-3-4-8-21(18)22/h3-4,6,8,10-11,15-16,22,25H,5,7,9,12-14H2,1-2H3,(H,26,29)/t16-,22+/m0/s1.
What are the key properties of 3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide?
3-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide has a molecular weight of 455.58 g/mol, XLogP of 2.85, 6 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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide is sourced from PubChem (CID 92687874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).