N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

C15H22N4O3S — CID 55412917

IUPACN-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C15H22N4O3S/c1-12(13-5-7-14(8-6-13)23(17,21)22)19(3)11-15(20)18(2)10-4-9-16/h5-8,12H,4,10-11H2,1-3H3,(H2,17,21,22)
InChIKeyDQMKXQCRWQVJMM-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.70
Rot. Bonds7

About N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide

N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (PubChem CID 55412917) has the molecular formula C15H22N4O3S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
PubChem CID55412917
Molecular FormulaC15H22N4O3S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N(C)CCC#N
InChIInChI=1S/C15H22N4O3S/c1-12(13-5-7-14(8-6-13)23(17,21)22)19(3)11-15(20)18(2)10-4-9-16/h5-8,12H,4,10-11H2,1-3H3,(H2,17,21,22)
InChIKeyDQMKXQCRWQVJMM-UHFFFAOYSA-N
XLogP0.70
TPSA107.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1R)-1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 94343786
4-[1-[methyl(2-methylprop-2-enyl)amino]ethyl]benzenesulfonamide
CID 51226899
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
N-(2-cyanoethyl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]-methylamino]-N-methylacetamide
CID 94157322
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
4-[1-[(2-cyanophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615077
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
4-[1-[[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]ethyl]benzenesulfonamide
CID 78817550
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide (CID 55412917) is N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)CC(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
The InChIKey is DQMKXQCRWQVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3S/c1-12(13-5-7-14(8-6-13)23(17,21)22)19(3)11-15(20)18(2)10-4-9-16/h5-8,12H,4,10-11H2,1-3H3,(H2,17,21,22).
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide has a molecular weight of 338.43 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[methyl-[1-(4-sulfamoylphenyl)ethyl]amino]acetamide is sourced from PubChem (CID 55412917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).