N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide

C24H22F2N2O4S — CID 112763869

IUPACN-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N2O4S/c1-15(19-9-7-17(25)13-21(19)26)27-24(29)20-14-18(8-10-23(20)32-2)33(30,31)28-12-11-16-5-3-4-6-22(16)28/h3-10,13-15H,11-12H2,1-2H3,(H,27,29)
InChIKeyKIFRBONADNRBNH-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.22
Rot. Bonds6

About N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide

N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (PubChem CID 112763869) has the molecular formula C24H22F2N2O4S and a molecular weight of 472.51 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
PubChem CID112763869
Molecular FormulaC24H22F2N2O4S
Molecular Weight472.51 g/mol
Exact Mass472.13
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C24H22F2N2O4S/c1-15(19-9-7-17(25)13-21(19)26)27-24(29)20-14-18(8-10-23(20)32-2)33(30,31)28-12-11-16-5-3-4-6-22(16)28/h3-10,13-15H,11-12H2,1-2H3,(H,27,29)
InChIKeyKIFRBONADNRBNH-UHFFFAOYSA-N
XLogP4.22
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
N-cyclopentyl-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9214483
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
5-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 5094355
1-(3-fluoro-4-propan-2-yloxyphenyl)sulfonyl-2,3-dihydroindole
CID 110758239
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 41152863
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-(3-phenylmethoxypropyl)benzamide
CID 33041380

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide (CID 112763869) is N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
The InChIKey is KIFRBONADNRBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O4S/c1-15(19-9-7-17(25)13-21(19)26)27-24(29)20-14-18(8-10-23(20)32-2)33(30,31)28-12-11-16-5-3-4-6-22(16)28/h3-10,13-15H,11-12H2,1-2H3,(H,27,29).
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide?
N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide has a molecular weight of 472.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide is sourced from PubChem (CID 112763869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).