N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

C24H24N4O3S2 — CID 25405082

IUPACN-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H24N4O3S2/c1-28-22-13-12-19(33(25,30)31)15-21(22)27-24(28)32-16-23(29)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,29)(H2,25,30,31)/t20-/m1/s1
InChIKeyCKTHWURLAKULPN-HXUWFJFHSA-N
MW480.62 g/mol
LogP3.41
Rot. Bonds8

About N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 25405082) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID25405082
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC NameN-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C24H24N4O3S2/c1-28-22-13-12-19(33(25,30)31)15-21(22)27-24(28)32-16-23(29)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,29)(H2,25,30,31)/t20-/m1/s1
InChIKeyCKTHWURLAKULPN-HXUWFJFHSA-N
XLogP3.41
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylbutan-2-yl)-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 39968687
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 129376220
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7480908
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55772019
2-(1-tert-butyltetrazol-5-yl)sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 18098761
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7839697
N-(1,2-diphenylethyl)-2-(6-sulfamoyl-2,3-dihydroindol-1-yl)acetamide
CID 86974732
N-(1,2-diphenylethyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 46813778
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(4-sulfamoylphenyl)acetamide
CID 56552713
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,2-diphenylethyl)acetamide
CID 46814228
2-(1-ethyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-propylacetamide
CID 7488097

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (CID 25405082) is N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is Cn1c(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is CKTHWURLAKULPN-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-28-22-13-12-19(33(25,30)31)15-21(22)27-24(28)32-16-23(29)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,29)(H2,25,30,31)/t20-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 480.62 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-2-(1-methyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 25405082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).