N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide

C26H23F4N3O4S — CID 118456353

IUPACN-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCn1c(C(F)(F)Oc2ccc(F)cc2F)nc2cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C26H23F4N3O4S/c1-3-33-22-11-8-18(31-24(34)13-16-5-9-19(10-6-16)38(35,36)4-2)15-21(22)32-25(33)26(29,30)37-23-12-7-17(27)14-20(23)28/h5-12,14-15H,3-4,13H2,1-2H3,(H,31,34)
InChIKeyPSGQNRPGNYVJFM-UHFFFAOYSA-N
MW549.55 g/mol
LogP5.44
Rot. Bonds9

About N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide

N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 118456353) has the molecular formula C26H23F4N3O4S and a molecular weight of 549.55 g/mol. Its IUPAC name is N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID118456353
Molecular FormulaC26H23F4N3O4S
Molecular Weight549.55 g/mol
Exact Mass549.13
IUPAC NameN-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCn1c(C(F)(F)Oc2ccc(F)cc2F)nc2cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/C26H23F4N3O4S/c1-3-33-22-11-8-18(31-24(34)13-16-5-9-19(10-6-16)38(35,36)4-2)15-21(22)32-25(33)26(29,30)37-23-12-7-17(27)14-20(23)28/h5-12,14-15H,3-4,13H2,1-2H3,(H,31,34)
InChIKeyPSGQNRPGNYVJFM-UHFFFAOYSA-N
XLogP5.44
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.55
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(2,4-difluorophenoxy)propan-2-yl]-1-propylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118455986
N-[2-[2-(4-chloro-2-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456312
N-[4-[2-(2,4-difluorophenyl)propan-2-yloxy]-3-fluorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456129
N-[4-[2-(5-chloro-1-ethylbenzimidazol-2-yl)propan-2-yloxy]-3-fluorophenyl]-2-[4-(1,1-difluoropropyl)phenyl]acetamide
CID 126720320
N-[3,5-difluoro-4-[4-fluoro-2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71506775
N-[2-[2-(4-chloro-3-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-2-(4-sulfanylphenyl)acetamide
CID 163809253
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
2-(4-ethylsulfonylphenyl)-N-[3-pyridin-2-yl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 71285897
N-[4-[2-(2-chloro-4-fluorophenyl)propan-2-yloxy]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456138
2-(4-ethylsulfonylphenyl)-N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]acetamide
CID 72548784
2-(4-ethylsulfonylphenyl)-N-[4-[1-[2-(4-fluorophenyl)ethyl]-6-methylbenzimidazol-2-yl]phenyl]acetamide
CID 162433856
2-(4-ethylsulfonylphenyl)-N-[4-[6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]phenyl]acetamide
CID 162433886

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide (CID 118456353) is N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide is CCn1c(C(F)(F)Oc2ccc(F)cc2F)nc2cc(NC(=O)Cc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is PSGQNRPGNYVJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N3O4S/c1-3-33-22-11-8-18(31-24(34)13-16-5-9-19(10-6-16)38(35,36)4-2)15-21(22)32-25(33)26(29,30)37-23-12-7-17(27)14-20(23)28/h5-12,14-15H,3-4,13H2,1-2H3,(H,31,34).
What are the key properties of N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 549.55 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 118456353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).