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

C16H17N5O4S — CID 24790976

IUPACN-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C16H17N5O4S/c17-9-13-2-1-3-14(8-13)19-15(22)10-20-11-16(18-12-20)26(23,24)21-4-6-25-7-5-21/h1-3,8,11-12H,4-7,10H2,(H,19,22)
InChIKeyRHGYKDIDCUAHPH-UHFFFAOYSA-N
MW375.41 g/mol
LogP0.41
Rot. Bonds5

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

N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (PubChem CID 24790976) has the molecular formula C16H17N5O4S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
PubChem CID24790976
Molecular FormulaC16H17N5O4S
Molecular Weight375.41 g/mol
Exact Mass375.10
IUPAC NameN-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide
SMILESN#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C16H17N5O4S/c17-9-13-2-1-3-14(8-13)19-15(22)10-20-11-16(18-12-20)26(23,24)21-4-6-25-7-5-21/h1-3,8,11-12H,4-7,10H2,(H,19,22)
InChIKeyRHGYKDIDCUAHPH-UHFFFAOYSA-N
XLogP0.41
TPSA117.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide (CID 24790976) is N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is N#Cc1cccc(NC(=O)Cn2cnc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
The InChIKey is RHGYKDIDCUAHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4S/c17-9-13-2-1-3-14(8-13)19-15(22)10-20-11-16(18-12-20)26(23,24)21-4-6-25-7-5-21/h1-3,8,11-12H,4-7,10H2,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide?
N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)acetamide is sourced from PubChem (CID 24790976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).