N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide

C13H16N4O3S — CID 4130651

IUPACN-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O3S/c1-10(18)17-11-2-4-13(5-3-11)21(19,20)16-7-6-12-8-14-9-15-12/h2-5,8-9,16H,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyBHZUAWKMFDORED-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.89
Rot. Bonds6

About N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide

N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide (PubChem CID 4130651) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide
PubChem CID4130651
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC NameN-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1
InChIInChI=1S/C13H16N4O3S/c1-10(18)17-11-2-4-13(5-3-11)21(19,20)16-7-6-12-8-14-9-15-12/h2-5,8-9,16H,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyBHZUAWKMFDORED-UHFFFAOYSA-N
XLogP0.89
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 64952
CID 64952
CID 67181
CID 67181
CID 135411191
CID 135411191
CID 44325020
CID 44325020
CID 44325395
CID 44325395
CID 44363692
CID 44363692
CID 11957294
CID 11957294
CID 395829
CID 395829
CID 4130652
CID 4130652
CID 5177367
CID 5177367
CID 10185976
CID 10185976
CID 22570228
CID 22570228

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide (CID 4130651) is N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCc2cnc[nH]2)cc1.
What is the InChIKey of N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
The InChIKey is BHZUAWKMFDORED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-10(18)17-11-2-4-13(5-3-11)21(19,20)16-7-6-12-8-14-9-15-12/h2-5,8-9,16H,6-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide?
N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide has a molecular weight of 308.36 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4130651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).