2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide

C26H33N3O4S — CID 92705990

IUPAC2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C26H33N3O4S/c1-18(20-8-5-4-6-9-20)16-27-25(30)17-28(3)34(32,33)23-12-13-24-22(15-23)14-19(2)29(24)26(31)21-10-7-11-21/h4-6,8-9,12-13,15,18-19,21H,7,10-11,14,16-17H2,1-3H3,(H,27,30)/t18-,19+/m1/s1
InChIKeyUGCGGWDWPQAHND-MOPGFXCFSA-N
MW483.63 g/mol
LogP3.30
Rot. Bonds8

About 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide

2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 92705990) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID92705990
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1)c1ccccc1
InChIInChI=1S/C26H33N3O4S/c1-18(20-8-5-4-6-9-20)16-27-25(30)17-28(3)34(32,33)23-12-13-24-22(15-23)14-19(2)29(24)26(31)21-10-7-11-21/h4-6,8-9,12-13,15,18-19,21H,7,10-11,14,16-17H2,1-3H3,(H,27,30)/t18-,19+/m1/s1
InChIKeyUGCGGWDWPQAHND-MOPGFXCFSA-N
XLogP3.30
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide (CID 92705990) is 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)C1CCC1)c1ccccc1.
What is the InChIKey of 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is UGCGGWDWPQAHND-MOPGFXCFSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18(20-8-5-4-6-9-20)16-27-25(30)17-28(3)34(32,33)23-12-13-24-22(15-23)14-19(2)29(24)26(31)21-10-7-11-21/h4-6,8-9,12-13,15,18-19,21H,7,10-11,14,16-17H2,1-3H3,(H,27,30)/t18-,19+/m1/s1.
What are the key properties of 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide?
2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 483.63 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 92705990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).