N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

C22H22N2O4S — CID 41041573

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccco1
InChIInChI=1S/C22H22N2O4S/c1-15-13-17-7-3-4-10-20(17)24(15)29(26,27)19-9-5-8-18(14-19)22(25)23-16(2)21-11-6-12-28-21/h3-12,14-16H,13H2,1-2H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyTWNQXBQSCJEISC-HOTGVXAUSA-N
MW410.50 g/mol
LogP3.91
Rot. Bonds5

About N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide

N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (PubChem CID 41041573) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
PubChem CID41041573
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
SMILESC[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccco1
InChIInChI=1S/C22H22N2O4S/c1-15-13-17-7-3-4-10-20(17)24(15)29(26,27)19-9-5-8-18(14-19)22(25)23-16(2)21-11-6-12-28-21/h3-12,14-16H,13H2,1-2H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyTWNQXBQSCJEISC-HOTGVXAUSA-N
XLogP3.91
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6596823
N-(1-hydroxybutan-2-yl)-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
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CID 55455151
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 4524829
3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide (CID 41041573) is N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is C[C@H](NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
The InChIKey is TWNQXBQSCJEISC-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-13-17-7-3-4-10-20(17)24(15)29(26,27)19-9-5-8-18(14-19)22(25)23-16(2)21-11-6-12-28-21/h3-12,14-16H,13H2,1-2H3,(H,23,25)/t15-,16-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide?
N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide has a molecular weight of 410.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide is sourced from PubChem (CID 41041573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).