N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

C20H24N4O3S2 — CID 30799052

IUPACN-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H24N4O3S2/c1-3-12-24-18-11-10-16(29(21,26)27)13-17(18)22-20(24)28-14-19(25)23(4-2)15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H2,21,26,27)
InChIKeyYNLSBYFRQPWLLM-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.24
Rot. Bonds8

About N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide

N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 30799052) has the molecular formula C20H24N4O3S2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID30799052
Molecular FormulaC20H24N4O3S2
Molecular Weight432.57 g/mol
Exact Mass432.13
IUPAC NameN-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C20H24N4O3S2/c1-3-12-24-18-11-10-16(29(21,26)27)13-17(18)22-20(24)28-14-19(25)23(4-2)15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H2,21,26,27)
InChIKeyYNLSBYFRQPWLLM-UHFFFAOYSA-N
XLogP3.24
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-butyl-5-(dimethylsulfamoyl)benzimidazol-2-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 42374829
2-(2-oxopropylsulfanyl)-1-propylbenzimidazole-5-sulfonamide
CID 40657918
N-cyclohexyl-N-methyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 46806531
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide
CID 30798940
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]sulfanyl-1-propylbenzimidazole-5-sulfonamide
CID 40743311
2-[(1-benzylpyrazol-4-yl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 71907301
1-propyl-2-(2-pyridin-2-ylethylsulfanyl)benzimidazole-5-sulfonamide
CID 41434117
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-cyclohexyl-N-methylacetamide
CID 4193265
(2R)-2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 41142135
2-[(4-fluorophenyl)methylsulfanyl]-1-propylbenzimidazole-5-sulfonamide
CID 30798918
1-butyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide
CID 4812089
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide (CID 30799052) is N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is CCCn1c(SCC(=O)N(CC)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is YNLSBYFRQPWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S2/c1-3-12-24-18-11-10-16(29(21,26)27)13-17(18)22-20(24)28-14-19(25)23(4-2)15-8-6-5-7-9-15/h5-11,13H,3-4,12,14H2,1-2H3,(H2,21,26,27).
What are the key properties of N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide?
N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 432.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenyl-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 30799052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).