1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide

C18H25N3O3S — CID 3434871

IUPAC1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H25N3O3S/c1-12-5-7-15(8-6-12)25-11-16(20-13(2)22)18(24)21-9-3-4-14(10-21)17(19)23/h5-8,14,16H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyWMYPKJKXXUOAIY-UHFFFAOYSA-N
MW363.48 g/mol
LogP1.32
Rot. Bonds6

About 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide

1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide (PubChem CID 3434871) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
PubChem CID3434871
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
SMILESCC(=O)NC(CSc1ccc(C)cc1)C(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H25N3O3S/c1-12-5-7-15(8-6-12)25-11-16(20-13(2)22)18(24)21-9-3-4-14(10-21)17(19)23/h5-8,14,16H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,22)
InChIKeyWMYPKJKXXUOAIY-UHFFFAOYSA-N
XLogP1.32
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-acetamido-3-(4-chlorophenyl)sulfanylpropanoyl]piperidine-3-carboxylate
CID 4213260
1-[2-acetamido-3-(3-nitrophenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 4543790
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 5180125
1-[2-(4-hydroxyphenyl)sulfanylacetyl]piperidine-3-carboxamide
CID 61030828
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
1-[3-(4-methylphenyl)sulfonylpropanoyl]piperidine-3-carboxamide
CID 78784819
(3R)-1-[(2R)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanoyl]piperidine-3-carboxamide
CID 30267330
2-acetamido-3-(4-methylsulfanylphenyl)sulfanylpropanoic acid
CID 21322489
(2S)-1-[(3S)-3-aminopiperidin-1-yl]-2-methyl-3-phenylsulfanylpropan-1-one
CID 124594002

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide (CID 3434871) is 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide is CC(=O)NC(CSc1ccc(C)cc1)C(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
The InChIKey is WMYPKJKXXUOAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-12-5-7-15(8-6-12)25-11-16(20-13(2)22)18(24)21-9-3-4-14(10-21)17(19)23/h5-8,14,16H,3-4,9-11H2,1-2H3,(H2,19,23)(H,20,22).
What are the key properties of 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide?
1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide has a molecular weight of 363.48 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 3434871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).