N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide

C22H22N2O4S2 — CID 51565179

IUPACN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1N([C@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S2/c1-16(22(25)23-14-13-17-8-3-4-9-18(17)23)24(19-10-5-6-11-20(19)28-2)30(26,27)21-12-7-15-29-21/h3-12,15-16H,13-14H2,1-2H3/t16-/m1/s1
InChIKeyHRWADUZBGVHTHL-MRXNPFEDSA-N
MW442.56 g/mol
LogP3.93
Rot. Bonds6

About N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide

N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide (PubChem CID 51565179) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
PubChem CID51565179
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccccc1N([C@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H22N2O4S2/c1-16(22(25)23-14-13-17-8-3-4-9-18(17)23)24(19-10-5-6-11-20(19)28-2)30(26,27)21-12-7-15-29-21/h3-12,15-16H,13-14H2,1-2H3/t16-/m1/s1
InChIKeyHRWADUZBGVHTHL-MRXNPFEDSA-N
XLogP3.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide (CID 51565179) is N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide is COc1ccccc1N([C@H](C)C(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is HRWADUZBGVHTHL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-16(22(25)23-14-13-17-8-3-4-9-18(17)23)24(19-10-5-6-11-20(19)28-2)30(26,27)21-12-7-15-29-21/h3-12,15-16H,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide?
N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 442.56 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-N-(2-methoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 51565179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).