N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide

C19H27N3O2S — CID 97313379

IUPACN-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide
SMILESCCOC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1
InChIInChI=1S/C19H27N3O2S/c1-3-24-16-9-12-22(13-10-16)14-19(23)21-17-6-4-5-7-18(17)25-15(2)8-11-20/h4-7,15-16H,3,8-10,12-14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyCADRJRSYPBXBGQ-OAHLLOKOSA-N
MW361.51 g/mol
LogP3.52
Rot. Bonds8

About N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide

N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide (PubChem CID 97313379) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide
PubChem CID97313379
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide
SMILESCCOC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1
InChIInChI=1S/C19H27N3O2S/c1-3-24-16-9-12-22(13-10-16)14-19(23)21-17-6-4-5-7-18(17)25-15(2)8-11-20/h4-7,15-16H,3,8-10,12-14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyCADRJRSYPBXBGQ-OAHLLOKOSA-N
XLogP3.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(1-cyanopropan-2-ylsulfanyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 75467392
2-(4-ethoxypiperidin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide
CID 55988345
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 97313343
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
CID 95329389
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079851
N-[2-(1-cyanopropan-2-ylsulfanyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 56803588
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 95616758
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079849
N-[2-[(2R)-2-cyanopropyl]sulfanylphenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 95327640
N-[2-(cyanomethylsulfanyl)phenyl]-2-[(3S)-3-(2-pyrrolidin-1-ylethoxy)pyrrolidin-1-yl]acetamide
CID 97014315
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The IUPAC name of N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide (CID 97313379) is N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide is CCOC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1.
What is the InChIKey of N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The InChIKey is CADRJRSYPBXBGQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-24-16-9-12-22(13-10-16)14-19(23)21-17-6-4-5-7-18(17)25-15(2)8-11-20/h4-7,15-16H,3,8-10,12-14H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide has a molecular weight of 361.51 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 97313379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).