4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide

C25H25N3O5S — CID 100785320

IUPAC4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C25H25N3O5S/c1-3-34(31,32)27-20-9-5-18(6-10-20)24(29)26-21-11-4-17-14-15-28(23(17)16-21)25(30)19-7-12-22(33-2)13-8-19/h4-13,16,27H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyTUIBTBLDQHMGLC-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.91
Rot. Bonds7

About 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide

4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide (PubChem CID 100785320) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
PubChem CID100785320
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide
SMILESCCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1
InChIInChI=1S/C25H25N3O5S/c1-3-34(31,32)27-20-9-5-18(6-10-20)24(29)26-21-11-4-17-14-15-28(23(17)16-21)25(30)19-7-12-22(33-2)13-8-19/h4-13,16,27H,3,14-15H2,1-2H3,(H,26,29)
InChIKeyTUIBTBLDQHMGLC-UHFFFAOYSA-N
XLogP3.91
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2,3-dihydroindole-6-carboxamide
CID 53160317
1-(4-methoxybenzoyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 53160326
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100795678
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 133159820
1-(benzenesulfonyl)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]piperidine-4-carboxamide
CID 100798688
1-(3-methoxyphenyl)-3-[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]urea
CID 46384342
N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]propanamide
CID 53099278
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100797695
1-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]-3-(3-methoxyphenyl)urea
CID 53099631
3,5-dimethoxy-N-[[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]methyl]benzamide
CID 53099251
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]acetamide
CID 100794010

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide?
The IUPAC name of 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide (CID 100785320) is 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide?
The canonical SMILES for 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide is CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccc(OC)cc2)CC3)cc1.
What is the InChIKey of 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide?
The InChIKey is TUIBTBLDQHMGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-3-34(31,32)27-20-9-5-18(6-10-20)24(29)26-21-11-4-17-14-15-28(23(17)16-21)25(30)19-7-12-22(33-2)13-8-19/h4-13,16,27H,3,14-15H2,1-2H3,(H,26,29).
What are the key properties of 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide?
4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide has a molecular weight of 479.56 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]benzamide is sourced from PubChem (CID 100785320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).