2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide

C18H16ClN3O2S — CID 164618901

IUPAC2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22(11-17(21)23)10-14-7-5-13(9-20)6-8-14/h1-8H,10-12H2,(H2,21,23)
InChIKeySPQTUKSQHFPRMP-UHFFFAOYSA-N
MW373.87 g/mol
LogP2.82
Rot. Bonds7

About 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide

2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide (PubChem CID 164618901) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide
PubChem CID164618901
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22(11-17(21)23)10-14-7-5-13(9-20)6-8-14/h1-8H,10-12H2,(H2,21,23)
InChIKeySPQTUKSQHFPRMP-UHFFFAOYSA-N
XLogP2.82
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide?
The IUPAC name of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide (CID 164618901) is 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide is N#Cc1ccc(CN(CC(N)=O)C(=O)CSc2ccccc2Cl)cc1.
What is the InChIKey of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide?
The InChIKey is SPQTUKSQHFPRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)25-12-18(24)22(11-17(21)23)10-14-7-5-13(9-20)6-8-14/h1-8H,10-12H2,(H2,21,23).
What are the key properties of 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide?
2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide has a molecular weight of 373.87 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)sulfanylacetyl]-[(4-cyanophenyl)methyl]amino]acetamide is sourced from PubChem (CID 164618901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).