3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide

C23H26N2O5S — CID 20950660

IUPAC3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C23H26N2O5S/c1-30-19-4-2-3-16(13-19)15-24-22(26)10-12-31(28,29)20-7-8-21-18(14-20)9-11-25(21)23(27)17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,24,26)
InChIKeyRKQVZIGKYQLGRD-UHFFFAOYSA-N
MW442.54 g/mol
LogP2.47
Rot. Bonds8

About 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide

3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 20950660) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID20950660
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC Name3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1
InChIInChI=1S/C23H26N2O5S/c1-30-19-4-2-3-16(13-19)15-24-22(26)10-12-31(28,29)20-7-8-21-18(14-20)9-11-25(21)23(27)17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,24,26)
InChIKeyRKQVZIGKYQLGRD-UHFFFAOYSA-N
XLogP2.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 92708699
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(thiophen-2-ylmethyl)propanamide
CID 20950670
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(3-methylphenyl)methyl]propanamide
CID 46361259
1-(cyclopropanecarbonyl)-N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 100555023
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(4-methylcyclohexyl)propanamide
CID 20950665
3-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)sulfonyl-N-[(3-methoxyphenyl)methyl]propanamide
CID 23603100
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 20950695
4-(cyclopropanecarbonyl)-N-[(3-methoxyphenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407211
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 15994355
N-[(3-methoxyphenyl)methyl]-1-[4-(4-methylpiperidin-1-yl)-4-oxobutanoyl]-2,3-dihydroindole-5-sulfonamide
CID 53025513

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 20950660) is 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is RKQVZIGKYQLGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c1-30-19-4-2-3-16(13-19)15-24-22(26)10-12-31(28,29)20-7-8-21-18(14-20)9-11-25(21)23(27)17-5-6-17/h2-4,7-8,13-14,17H,5-6,9-12,15H2,1H3,(H,24,26).
What are the key properties of 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide?
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 442.54 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 20950660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).