N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide

C18H25N3O2S — CID 97313343

IUPACN-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H](C)O1
InChIInChI=1S/C18H25N3O2S/c1-13-10-21(11-14(2)23-13)12-18(22)20-16-6-4-5-7-17(16)24-15(3)8-9-19/h4-7,13-15H,8,10-12H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1
InChIKeyVJXSRDSOMQVYET-KFWWJZLASA-N
MW347.48 g/mol
LogP3.13
Rot. Bonds6

About N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide

N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 97313343) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID97313343
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H](C)O1
InChIInChI=1S/C18H25N3O2S/c1-13-10-21(11-14(2)23-13)12-18(22)20-16-6-4-5-7-17(16)24-15(3)8-9-19/h4-7,13-15H,8,10-12H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1
InChIKeyVJXSRDSOMQVYET-KFWWJZLASA-N
XLogP3.13
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide with MolForge

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Related Compounds

1-[2-[2-(1-cyanopropan-2-ylsulfanyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 75467392
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(4-ethoxypiperidin-1-yl)acetamide
CID 97313379
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096773
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 95616758
N-[2-(1-cyanopropan-2-ylsulfanyl)phenyl]-2-(3-cyano-1,2,4-triazol-1-yl)acetamide
CID 56803588
N-[2-[(2R)-1-cyanopropan-2-yl]sulfanylphenyl]-2-(3,3-dimethylmorpholin-4-yl)acetamide
CID 95329389
2-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 51170473
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079849
N-(2-benzylphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8900246
2-(2,6-dimethylmorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 6470205
N-[2-(difluoromethylsulfonyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46666057
1-[[2-(1-cyanopropan-2-ylsulfanyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079851

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide (CID 97313343) is N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is VJXSRDSOMQVYET-KFWWJZLASA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-10-21(11-14(2)23-13)12-18(22)20-16-6-4-5-7-17(16)24-15(3)8-9-19/h4-7,13-15H,8,10-12H2,1-3H3,(H,20,22)/t13-,14-,15+/m1/s1.
What are the key properties of N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide?
N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 347.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-cyanopropan-2-yl]sulfanylphenyl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 97313343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).