2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide

C14H19N3O3S — CID 61060009

IUPAC2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-9-17(11-14(18)16(2)3)21(19,20)13-7-5-12(10-15)6-8-13/h5-8H,4,9,11H2,1-3H3
InChIKeyXVRUAXVKSZSOGJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.05
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide

2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide (PubChem CID 61060009) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
PubChem CID61060009
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O3S/c1-4-9-17(11-14(18)16(2)3)21(19,20)13-7-5-12(10-15)6-8-13/h5-8H,4,9,11H2,1-3H3
InChIKeyXVRUAXVKSZSOGJ-UHFFFAOYSA-N
XLogP1.05
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
4-cyano-N,N-bis(2-ethoxyethyl)benzenesulfonamide
CID 3821573
4-cyano-N-propyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608397
2-[(4-cyanophenyl)methylsulfonyl-methylamino]-N,N-dimethylacetamide
CID 43216444
2-(4-cyano-2-methyl-N-propylanilino)-N,N-dimethylacetamide
CID 54990395
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
ethyl 2-[(4-bromophenyl)sulfonyl-propylamino]acetate
CID 60520900
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
2-[(2-amino-3-pyridinyl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 65427421
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808
2-[(4-hydroxyphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 54985267
2-[[4-(cyanomethyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 79186471

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide (CID 61060009) is 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is XVRUAXVKSZSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-4-9-17(11-14(18)16(2)3)21(19,20)13-7-5-12(10-15)6-8-13/h5-8H,4,9,11H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide?
2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 309.39 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 61060009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).