5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

C25H28N2O5S — CID 55990047

IUPAC5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C25H28N2O5S/c1-17(2)26(16-20-10-9-18(3)32-20)25(28)22-15-21(11-12-24(22)31-4)33(29,30)27-14-13-19-7-5-6-8-23(19)27/h5-12,15,17H,13-14,16H2,1-4H3
InChIKeyVVGIFVUIWSZUKC-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.40
Rot. Bonds7

About 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide

5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 55990047) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID55990047
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C25H28N2O5S/c1-17(2)26(16-20-10-9-18(3)32-20)25(28)22-15-21(11-12-24(22)31-4)33(29,30)27-14-13-19-7-5-6-8-23(19)27/h5-12,15,17H,13-14,16H2,1-4H3
InChIKeyVVGIFVUIWSZUKC-UHFFFAOYSA-N
XLogP4.40
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydroindol-1-ylsulfonyl)-N,N-diethyl-2-methoxybenzamide
CID 33237289
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid
CID 832238
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-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55993117
N-(2-amino-2-oxoethyl)-5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzamide
CID 9295743
(5-methyl-1,2-oxazol-3-yl)methyl 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 28583082
[5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 55334797
1-(4-methoxy-3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 2226308
5-(2,3-dihydroindol-1-ylsulfonyl)-N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 9224536
(4-acetylphenyl) 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2710037
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
[2-(ethylcarbamoylamino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2632427

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide (CID 55990047) is 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N(Cc1ccc(C)o1)C(C)C.
What is the InChIKey of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is VVGIFVUIWSZUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-17(2)26(16-20-10-9-18(3)32-20)25(28)22-15-21(11-12-24(22)31-4)33(29,30)27-14-13-19-7-5-6-8-23(19)27/h5-12,15,17H,13-14,16H2,1-4H3.
What are the key properties of 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide?
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 55990047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).