N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

C16H17N5O3S — CID 24790991

IUPACN-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C16H17N5O3S/c17-9-13-4-3-5-14(8-13)19-15(22)10-20-11-16(18-12-20)25(23,24)21-6-1-2-7-21/h3-5,8,11-12H,1-2,6-7,10H2,(H,19,22)
InChIKeyZKJGHQGYELRKMP-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.18
Rot. Bonds5

About N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide

N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 24790991) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
PubChem CID24790991
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC NameN-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C16H17N5O3S/c17-9-13-4-3-5-14(8-13)19-15(22)10-20-11-16(18-12-20)25(23,24)21-6-1-2-7-21/h3-5,8,11-12H,1-2,6-7,10H2,(H,19,22)
InChIKeyZKJGHQGYELRKMP-UHFFFAOYSA-N
XLogP1.18
TPSA108.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide (CID 24790991) is N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is N#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is ZKJGHQGYELRKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c17-9-13-4-3-5-14(8-13)19-15(22)10-20-11-16(18-12-20)25(23,24)21-6-1-2-7-21/h3-5,8,11-12H,1-2,6-7,10H2,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 359.41 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-pyrrolidin-1-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 24790991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).