2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide

C23H19ClN2O2S — CID 55751872

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1cccc(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClN2O2S/c24-19-11-9-18(10-12-19)23(17-5-2-1-3-6-17)29-16-22(27)26-20-7-4-8-21(15-20)28-14-13-25/h1-12,15,23H,14,16H2,(H,26,27)
InChIKeyMKNUNYMRIKHMOJ-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.70
Rot. Bonds8

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide (PubChem CID 55751872) has the molecular formula C23H19ClN2O2S and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide
PubChem CID55751872
Molecular FormulaC23H19ClN2O2S
Molecular Weight422.94 g/mol
Exact Mass422.09
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide
SMILESN#CCOc1cccc(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H19ClN2O2S/c24-19-11-9-18(10-12-19)23(17-5-2-1-3-6-17)29-16-22(27)26-20-7-4-8-21(15-20)28-14-13-25/h1-12,15,23H,14,16H2,(H,26,27)
InChIKeyMKNUNYMRIKHMOJ-UHFFFAOYSA-N
XLogP5.70
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(2-benzhydrylsulfanylacetyl)amino]phenoxy]acetamide
CID 24649946
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
5-chloro-N-[3-(cyanomethoxy)phenyl]-2-hydroxybenzamide
CID 43369133
[3-(cyanomethoxy)phenyl]urea
CID 43369607
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
4-amino-N-[3-(cyanomethoxy)phenyl]-3-methylbutanamide
CID 81075432
7-amino-N-[3-(cyanomethoxy)phenyl]heptanamide
CID 43708790
4-[2-[3-(cyanomethoxy)anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 55800242
4-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-2-carboxamide
CID 60776333
N-[3-(cyanomethoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 79285957
N-[3-(cyanomethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281343

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide (CID 55751872) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide is N#CCOc1cccc(NC(=O)CSC(c2ccccc2)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide?
The InChIKey is MKNUNYMRIKHMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2S/c24-19-11-9-18(10-12-19)23(17-5-2-1-3-6-17)29-16-22(27)26-20-7-4-8-21(15-20)28-14-13-25/h1-12,15,23H,14,16H2,(H,26,27).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[3-(cyanomethoxy)phenyl]acetamide is sourced from PubChem (CID 55751872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).