N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C15H16F2N4O3S — CID 20947087

IUPACN-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4O3S/c16-11-3-4-13(12(17)7-11)19-14(22)8-20-9-15(18-10-20)25(23,24)21-5-1-2-6-21/h3-4,7,9-10H,1-2,5-6,8H2,(H,19,22)
InChIKeyVAQFZVAFFMFCEP-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.58
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 20947087) has the molecular formula C15H16F2N4O3S and a molecular weight of 370.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID20947087
Molecular FormulaC15H16F2N4O3S
Molecular Weight370.38 g/mol
Exact Mass370.09
IUPAC NameN-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)cc1F
InChIInChI=1S/C15H16F2N4O3S/c16-11-3-4-13(12(17)7-11)19-14(22)8-20-9-15(18-10-20)25(23,24)21-5-1-2-6-21/h3-4,7,9-10H,1-2,5-6,8H2,(H,19,22)
InChIKeyVAQFZVAFFMFCEP-UHFFFAOYSA-N
XLogP1.58
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
CID 20949786
N-(2,4-difluorophenyl)-2-[4-(2,3-dihydroindol-1-ylsulfonyl)imidazol-1-yl]acetamide
CID 20949910
N-(4-fluoro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949705
2-(4-piperidin-1-ylsulfonylimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 20949449
N-(3-methylphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949569
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947133
N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20949492
N-(2,4-difluorophenyl)-2-(4-piperidin-1-ylsulfonylphenoxy)acetamide
CID 45375671
N-[(2-methoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
CID 20947129
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(4-chlorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]acetamide
CID 20949616
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513870

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 20947087) is N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is O=C(Cn1cnc(S(=O)(=O)N2CCCC2)c1)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is VAQFZVAFFMFCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O3S/c16-11-3-4-13(12(17)7-11)19-14(22)8-20-9-15(18-10-20)25(23,24)21-5-1-2-6-21/h3-4,7,9-10H,1-2,5-6,8H2,(H,19,22).
What are the key properties of N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 370.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 20947087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).