1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C24H26N4O5S — CID 90516445

IUPAC1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)cn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-16-12-19-13-21(8-9-23(19)28(16)17(2)29)34(31,32)26-10-11-27-15-25-22(14-24(27)30)18-4-6-20(33-3)7-5-18/h4-9,13-16,26H,10-12H2,1-3H3
InChIKeyPHOBGBFBMYBEOK-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.19
Rot. Bonds7

About 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 90516445) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID90516445
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCOc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)cn2)cc1
InChIInChI=1S/C24H26N4O5S/c1-16-12-19-13-21(8-9-23(19)28(16)17(2)29)34(31,32)26-10-11-27-15-25-22(14-24(27)30)18-4-6-20(33-3)7-5-18/h4-9,13-16,26H,10-12H2,1-3H3
InChIKeyPHOBGBFBMYBEOK-UHFFFAOYSA-N
XLogP2.19
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
(2S)-1-acetyl-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41241451
4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516400
1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46353471
(2R)-1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 92875766
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
(2R)-1-acetyl-N-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 92750568
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
2,4-diethoxy-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516437
(2S)-1-acetyl-N-(cyclooctylmethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 97024862
4-ethoxy-N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516479
1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55511773

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 90516445) is 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is COc1ccc(-c2cc(=O)n(CCNS(=O)(=O)c3ccc4c(c3)CC(C)N4C(C)=O)cn2)cc1.
What is the InChIKey of 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is PHOBGBFBMYBEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c1-16-12-19-13-21(8-9-23(19)28(16)17(2)29)34(31,32)26-10-11-27-15-25-22(14-24(27)30)18-4-6-20(33-3)7-5-18/h4-9,13-16,26H,10-12H2,1-3H3.
What are the key properties of 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 482.56 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 90516445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).