N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide

C15H21N3OS — CID 115638357

IUPACN-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
SMILESCSCCC(C)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3OS/c1-12(7-8-20-3)18(2)11-15(19)17-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,11H2,1-3H3,(H,17,19)
InChIKeyQROXOFKNRGTYQN-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.57
Rot. Bonds7

About N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide

N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide (PubChem CID 115638357) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
PubChem CID115638357
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide
SMILESCSCCC(C)N(C)CC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H21N3OS/c1-12(7-8-20-3)18(2)11-15(19)17-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,11H2,1-3H3,(H,17,19)
InChIKeyQROXOFKNRGTYQN-UHFFFAOYSA-N
XLogP2.57
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[methyl-[(1S)-1-phenylethyl]amino]acetamide
CID 41047179
2-[acetyl(propan-2-yl)amino]-N-(3-cyanophenyl)acetamide
CID 113158289
N-(3-cyanophenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propanamide
CID 115985825
N-(3-cyanophenyl)-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanamide
CID 115898088
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271245
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 42946158
2-[butyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 42911942
N-(3-cyanophenyl)-2-(diethylamino)propanamide
CID 43176773
N-(3-cyanophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]propanamide
CID 17425595
2-[acetyl(propyl)amino]-N-(3-cyanophenyl)acetamide
CID 113158090
N-(3-cyanophenyl)-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 103706215

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide (CID 115638357) is N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide is CSCCC(C)N(C)CC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide?
The InChIKey is QROXOFKNRGTYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12(7-8-20-3)18(2)11-15(19)17-14-6-4-5-13(9-14)10-16/h4-6,9,12H,7-8,11H2,1-3H3,(H,17,19).
What are the key properties of N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide?
N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[methyl(4-methylsulfanylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 115638357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).