2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide

C16H19N3OS — CID 116694816

IUPAC2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
SMILESCNC(CCSc1ccncc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-18-16(15(17)20,13-5-3-2-4-6-13)9-12-21-14-7-10-19-11-8-14/h2-8,10-11,18H,9,12H2,1H3,(H2,17,20)
InChIKeyOAEAJVPWYUAFJT-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.16
Rot. Bonds7

About 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide

2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide (PubChem CID 116694816) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
PubChem CID116694816
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide
SMILESCNC(CCSc1ccncc1)(C(N)=O)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-18-16(15(17)20,13-5-3-2-4-6-13)9-12-21-14-7-10-19-11-8-14/h2-8,10-11,18H,9,12H2,1H3,(H2,17,20)
InChIKeyOAEAJVPWYUAFJT-UHFFFAOYSA-N
XLogP2.16
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexylsulfanyl-2-(methylamino)-2-phenylbutanamide
CID 116694645
4-(2-ethoxyethoxy)-2-(methylamino)-2-phenylbutanamide
CID 116694151
2-(methylamino)-3-(4-methylpyrimidin-2-yl)sulfanyl-2-phenylpropanamide
CID 62269461
2,2-dimethyl-4-phenylsulfanylbutanamide
CID 142130509
2-(methylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanamide
CID 82957265
2-(methylamino)-4-[methyl(2-methylpropyl)amino]-2-phenylbutanamide
CID 116693625
2-amino-4-(4-methylphenyl)sulfanyl-2-phenylbutanamide
CID 116694611
4-(2-methoxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694492
4-[butan-2-yl(ethyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693705
2-(methylamino)-4-(2-methylfuran-3-yl)sulfanyl-2-phenylbutanoic acid
CID 107782026
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)-2-phenylbutanamide
CID 116693639
ethyl 4-(2-hydroxyethylsulfanyl)-2-(methylamino)-2-phenylbutanoate
CID 116694506

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide?
The IUPAC name of 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide (CID 116694816) is 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide.
What is the SMILES notation for 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide?
The canonical SMILES for 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide is CNC(CCSc1ccncc1)(C(N)=O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide?
The InChIKey is OAEAJVPWYUAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18-16(15(17)20,13-5-3-2-4-6-13)9-12-21-14-7-10-19-11-8-14/h2-8,10-11,18H,9,12H2,1H3,(H2,17,20).
What are the key properties of 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide?
2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide has a molecular weight of 301.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-phenyl-4-pyridin-4-ylsulfanylbutanamide is sourced from PubChem (CID 116694816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).