3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

C16H17N3O4S — CID 56803681

IUPAC3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccoc2C)cc1S(=O)(=O)NCC#N
InChIInChI=1S/C16H17N3O4S/c1-11-3-4-13(9-15(11)24(21,22)19-7-6-17)16(20)18-10-14-5-8-23-12(14)2/h3-5,8-9,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyKZNREXXEFUZLTD-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.63
Rot. Bonds6

About 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide

3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (PubChem CID 56803681) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
PubChem CID56803681
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccoc2C)cc1S(=O)(=O)NCC#N
InChIInChI=1S/C16H17N3O4S/c1-11-3-4-13(9-15(11)24(21,22)19-7-6-17)16(20)18-10-14-5-8-23-12(14)2/h3-5,8-9,19H,7,10H2,1-2H3,(H,18,20)
InChIKeyKZNREXXEFUZLTD-UHFFFAOYSA-N
XLogP1.63
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

(2-methylfuran-3-yl)methylurea
CID 130639643
N-(furan-2-ylmethyl)-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 1251601
3-(benzylsulfamoyl)-N,N-bis(cyanomethyl)-4-methylbenzamide
CID 60613005
N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2632905
N-benzyl-4-methyl-3-(phenylsulfamoyl)benzamide
CID 126384888
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2634660
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2612888
N-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126413823
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 126415658
N-(1,3-benzothiazol-2-ylmethyl)-3-(benzylsulfamoyl)-4-methylbenzamide
CID 55380920
N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415166
3-(benzylsulfamoyl)-N-[(1S)-1-(furan-2-yl)ethyl]-4-methylbenzamide
CID 9482206

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The IUPAC name of 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide (CID 56803681) is 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The canonical SMILES for 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccoc2C)cc1S(=O)(=O)NCC#N.
What is the InChIKey of 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
The InChIKey is KZNREXXEFUZLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-11-3-4-13(9-15(11)24(21,22)19-7-6-17)16(20)18-10-14-5-8-23-12(14)2/h3-5,8-9,19H,7,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide?
3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide has a molecular weight of 347.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethylsulfamoyl)-4-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide is sourced from PubChem (CID 56803681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).