3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide

C15H21N3O3S — CID 113140951

IUPAC3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCC(C)(C)N(CCC(=O)Nc1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)18(22(4,20)21)9-8-14(19)17-13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyRYXRUWJYAIXNMY-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.95
Rot. Bonds5

About 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide

3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide (PubChem CID 113140951) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
PubChem CID113140951
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide
SMILESCC(C)(C)N(CCC(=O)Nc1cccc(C#N)c1)S(C)(=O)=O
InChIInChI=1S/C15H21N3O3S/c1-15(2,3)18(22(4,20)21)9-8-14(19)17-13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19)
InChIKeyRYXRUWJYAIXNMY-UHFFFAOYSA-N
XLogP1.95
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040
N-(3-cyanophenyl)-3-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]propanamide
CID 115666850
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
3-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144165
3-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113144095
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
3-(N-acetyl-3,5-dichloroanilino)-N-(3-cyanophenyl)propanamide
CID 113134148
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
N-(3-cyanophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 80712090
2-[benzyl(methylsulfonyl)amino]-N-(3-cyanophenyl)acetamide
CID 99621516

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide (CID 113140951) is 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide is CC(C)(C)N(CCC(=O)Nc1cccc(C#N)c1)S(C)(=O)=O.
What is the InChIKey of 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide?
The InChIKey is RYXRUWJYAIXNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-15(2,3)18(22(4,20)21)9-8-14(19)17-13-7-5-6-12(10-13)11-16/h5-7,10H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide?
3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide has a molecular weight of 323.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(methylsulfonyl)amino]-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 113140951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).