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

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CID 64952
N4-Acetylsulfamerazine
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CID 135411191
N-(2,4-dimethylpentan-3-yl)-N-(1H-imidazol-5-ylmethyl)-4-(pentan-3-ylamino)benzenesulfonamide
CID 44325020
N-(2,4-dimethylpentan-3-yl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
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{3-(1H-Imidazol-4-yl)-2-[3-(4-sulfamoyl-phenyl)-thioureido]-propionylamino}-acetic acid
CID 44363692
1-(1H-imidazol-5-ylsulfonyl)-4-phenylpiperazine
CID 11957294
[(2-imidazol-4-ylethyl)amino]-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 395829
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 4130652
(2-Imidazol-4-ylethyl)[(4-iodophenyl)sulfonyl]amine
CID 5177367
4-{4-[Benzenesulfonyl-(3H-imidazol-4-ylmethyl)-amino]-phenyl}-piperazine-1-carbothioic acid isobutyl-amide
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Benzenesulfonylhistamine
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).