N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide

C14H19N3O3S — CID 61384877

IUPACN-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-17(10-11(2)9-15)21(19,20)14-7-5-13(6-8-14)16-12(3)18/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyXETAZINNXVBHQN-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds6

About N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide

N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide (PubChem CID 61384877) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
PubChem CID61384877
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-17(10-11(2)9-15)21(19,20)14-7-5-13(6-8-14)16-12(3)18/h5-8,11H,4,10H2,1-3H3,(H,16,18)
InChIKeyXETAZINNXVBHQN-UHFFFAOYSA-N
XLogP1.82
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
2-bromo-N-[4-(diethylsulfamoyl)phenyl]propanamide
CID 107903298
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
CID 47387967
3-chloro-4-cyano-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 115591030
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-(2-cyanopropyl)-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62158366

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide (CID 61384877) is N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide is CCN(CC(C)C#N)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is XETAZINNXVBHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-17(10-11(2)9-15)21(19,20)14-7-5-13(6-8-14)16-12(3)18/h5-8,11H,4,10H2,1-3H3,(H,16,18).
What are the key properties of N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide?
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 61384877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).