N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

C13H18N4O3S — CID 113064269

IUPACN-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(C#N)c1
InChIInChI=1S/C13H18N4O3S/c1-11(18)17(8-7-15-21(19,20)16(2)3)13-6-4-5-12(9-13)10-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyFSSVTCGVDQMSGG-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.31
Rot. Bonds6

About N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide

N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (PubChem CID 113064269) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
PubChem CID113064269
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(C#N)c1
InChIInChI=1S/C13H18N4O3S/c1-11(18)17(8-7-15-21(19,20)16(2)3)13-6-4-5-12(9-13)10-14/h4-6,9,15H,7-8H2,1-3H3
InChIKeyFSSVTCGVDQMSGG-UHFFFAOYSA-N
XLogP0.31
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113059573
N-(3-cyanophenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113064274
N-[2-(1,3-benzodioxol-5-ylsulfonylamino)ethyl]-N-(3-cyanophenyl)acetamide
CID 113064287
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-3-phenylpropanamide
CID 113064234
N-(2-bromoprop-2-enyl)-N-(3-cyanophenyl)acetamide
CID 121012223
N-[2-(N-acetyl-3-cyanoanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113064241
N-(4-acetamidophenyl)-3-(N-acetyl-3-cyanoanilino)propanamide
CID 113134968
3-(N-acetyl-3-cyanoanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113134924
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
3-(N-acetyl-3-cyanoanilino)-N-(2-ethylphenyl)propanamide
CID 113134926

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide (CID 113064269) is N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)N(C)C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
The InChIKey is FSSVTCGVDQMSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-11(18)17(8-7-15-21(19,20)16(2)3)13-6-4-5-12(9-13)10-14/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide?
N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide has a molecular weight of 310.38 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide is sourced from PubChem (CID 113064269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).