(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide

C23H29N3O5S — CID 92705152

IUPAC(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)C(C)C)c1
InChIInChI=1S/C23H29N3O5S/c1-14(2)22(23(28)24-18-7-6-8-19(13-18)31-5)25-32(29,30)20-9-10-21-17(12-20)11-15(3)26(21)16(4)27/h6-10,12-15,22,25H,11H2,1-5H3,(H,24,28)/t15-,22+/m0/s1
InChIKeyLNHHMYFERDWWFQ-OYHNWAKOSA-N
MW459.57 g/mol
LogP2.93
Rot. Bonds7

About (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide

(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide (PubChem CID 92705152) has the molecular formula C23H29N3O5S and a molecular weight of 459.57 g/mol. Its IUPAC name is (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
PubChem CID92705152
Molecular FormulaC23H29N3O5S
Molecular Weight459.57 g/mol
Exact Mass459.18
IUPAC Name(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide
SMILESCOc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)C(C)C)c1
InChIInChI=1S/C23H29N3O5S/c1-14(2)22(23(28)24-18-7-6-8-19(13-18)31-5)25-32(29,30)20-9-10-21-17(12-20)11-15(3)26(21)16(4)27/h6-10,12-15,22,25H,11H2,1-5H3,(H,24,28)/t15-,22+/m0/s1
InChIKeyLNHHMYFERDWWFQ-OYHNWAKOSA-N
XLogP2.93
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-fluoro-4-methylphenyl)-3-methylbutanamide
CID 20902080
(2S)-2-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-ethoxyphenyl)-3-methylbutanamide
CID 92705165
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-cyclopentyl-3-methylbutanamide
CID 46274930
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 92661445
1-acetyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508575
2-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonylamino]-N-(2,4-dimethoxyphenyl)-3-methylbutanamide
CID 3242464
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
1-acetyl-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 74658277
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 20902090
1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide (CID 92705152) is (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide is COc1cccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)C(C)C)c1.
What is the InChIKey of (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide?
The InChIKey is LNHHMYFERDWWFQ-OYHNWAKOSA-N. The full InChI is InChI=1S/C23H29N3O5S/c1-14(2)22(23(28)24-18-7-6-8-19(13-18)31-5)25-32(29,30)20-9-10-21-17(12-20)11-15(3)26(21)16(4)27/h6-10,12-15,22,25H,11H2,1-5H3,(H,24,28)/t15-,22+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide?
(2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide has a molecular weight of 459.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-(3-methoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 92705152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).