N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide

C14H19N3O4S — CID 7617970

IUPACN-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N(C)CCC#N)c1
InChIInChI=1S/C14H19N3O4S/c1-17(9-4-7-15)22(19,20)10-8-16-14(18)12-5-3-6-13(11-12)21-2/h3,5-6,11H,4,8-10H2,1-2H3,(H,16,18)
InChIKeyFLUYGWZLKZKSGS-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.60
Rot. Bonds8

About N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide

N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide (PubChem CID 7617970) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
PubChem CID7617970
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCS(=O)(=O)N(C)CCC#N)c1
InChIInChI=1S/C14H19N3O4S/c1-17(9-4-7-15)22(19,20)10-8-16-14(18)12-5-3-6-13(11-12)21-2/h3,5-6,11H,4,8-10H2,1-2H3,(H,16,18)
InChIKeyFLUYGWZLKZKSGS-UHFFFAOYSA-N
XLogP0.60
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602541
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
N,N-bis(2-cyanoethyl)-3-methoxybenzamide
CID 4626859
N-[2-(dimethylsulfamoylamino)ethyl]-3-methoxybenzamide
CID 35325375
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3-methoxybenzamide
CID 113066241
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064974
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
2-[2-[(3-methoxybenzoyl)amino]ethylsulfonylamino]ethyl-dimethylazanium
CID 7618004
3-methoxy-N-[2-(4-methylpiperazin-4-ium-1-yl)sulfonylethyl]benzamide
CID 7601092
1-[[[2-cyanoethyl(methyl)sulfamoyl]amino]methyl]-3-methoxybenzene
CID 47164741
3-methoxy-N-[2-(pentylsulfamoyl)ethyl]benzamide
CID 18582832

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide (CID 7617970) is N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCS(=O)(=O)N(C)CCC#N)c1.
What is the InChIKey of N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide?
The InChIKey is FLUYGWZLKZKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-17(9-4-7-15)22(19,20)10-8-16-14(18)12-5-3-6-13(11-12)21-2/h3,5-6,11H,4,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide?
N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide has a molecular weight of 325.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyanoethyl(methyl)sulfamoyl]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 7617970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).