2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide

C27H29N3O3S — CID 162433901

IUPAC2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide
SMILESCCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21
InChIInChI=1S/C27H29N3O3S/c1-4-16-30-25-17-19(3)6-15-24(25)29-27(30)21-9-11-22(12-10-21)28-26(31)18-20-7-13-23(14-8-20)34(32,33)5-2/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31)
InChIKeyMMUHPMBMGAGMFE-UHFFFAOYSA-N
MW475.61 g/mol
LogP5.40
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide (PubChem CID 162433901) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide
PubChem CID162433901
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide
SMILESCCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21
InChIInChI=1S/C27H29N3O3S/c1-4-16-30-25-17-19(3)6-15-24(25)29-27(30)21-9-11-22(12-10-21)28-26(31)18-20-7-13-23(14-8-20)34(32,33)5-2/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31)
InChIKeyMMUHPMBMGAGMFE-UHFFFAOYSA-N
XLogP5.40
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[4-[6-methyl-1-(2-phenylethyl)benzimidazol-2-yl]phenyl]acetamide
CID 162433909
2-(4-ethylsulfonylphenyl)-N-[4-[1-[2-(4-fluorophenyl)ethyl]-6-methylbenzimidazol-2-yl]phenyl]acetamide
CID 162433856
N-[4-(1-benzyl-6-methylbenzimidazol-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 162433837
2-(4-ethylsulfonylphenyl)-N-[4-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]phenyl]acetamide
CID 162433886
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 18586875
N-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-propylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455986
N-methyl-4-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 104698494
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-(4-ethylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 39862572
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(4-ethylsulfonylphenyl)acetamide
CID 18275779

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide (CID 162433901) is 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide is CCCn1c(-c2ccc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)cc2)nc2ccc(C)cc21.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide?
The InChIKey is MMUHPMBMGAGMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3S/c1-4-16-30-25-17-19(3)6-15-24(25)29-27(30)21-9-11-22(12-10-21)28-26(31)18-20-7-13-23(14-8-20)34(32,33)5-2/h6-15,17H,4-5,16,18H2,1-3H3,(H,28,31).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide has a molecular weight of 475.61 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[4-(6-methyl-1-propylbenzimidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 162433901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).