N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide

C17H23N5O3S — CID 131945022

IUPACN-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NCc2nncn2C2CCCCC2)c1
InChIInChI=1S/C17H23N5O3S/c1-13(23)20-14-6-5-9-16(10-14)26(24,25)19-11-17-21-18-12-22(17)15-7-3-2-4-8-15/h5-6,9-10,12,15,19H,2-4,7-8,11H2,1H3,(H,20,23)
InChIKeyONWXWKAQVFFBQX-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.22
Rot. Bonds6

About N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide

N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide (PubChem CID 131945022) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide
PubChem CID131945022
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC NameN-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NCc2nncn2C2CCCCC2)c1
InChIInChI=1S/C17H23N5O3S/c1-13(23)20-14-6-5-9-16(10-14)26(24,25)19-11-17-21-18-12-22(17)15-7-3-2-4-8-15/h5-6,9-10,12,15,19H,2-4,7-8,11H2,1H3,(H,20,23)
InChIKeyONWXWKAQVFFBQX-UHFFFAOYSA-N
XLogP2.22
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]-4-methylbenzoic acid
CID 131918632
N-[3-(cyclohexylsulfamoyl)phenyl]acetamide
CID 47314930
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 131950709
3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 131943415
N-[(4-cyclopentyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62709549
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-(2-fluorophenyl)methanesulfonamide
CID 131890346
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-(methanesulfonamido)propanamide
CID 91843426
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 97204908
N-[3-[(1-cyclopentyl-3-methylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282836
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97193467
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-cyclohexylcyclopropane-1-carboxamide
CID 119465253

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide (CID 131945022) is N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)NCc2nncn2C2CCCCC2)c1.
What is the InChIKey of N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide?
The InChIKey is ONWXWKAQVFFBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-13(23)20-14-6-5-9-16(10-14)26(24,25)19-11-17-21-18-12-22(17)15-7-3-2-4-8-15/h5-6,9-10,12,15,19H,2-4,7-8,11H2,1H3,(H,20,23).
What are the key properties of N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide?
N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-cyclohexyl-1,2,4-triazol-3-yl)methylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 131945022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).