2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C20H18ClNO2S — CID 47003849

IUPAC2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C20H18ClNO2S/c21-17-10-8-16(9-11-17)20(15-5-2-1-3-6-15)25-14-19(23)22-13-18-7-4-12-24-18/h1-12,20H,13-14H2,(H,22,23)
InChIKeyWKSSXPAMLKSLTL-UHFFFAOYSA-N
MW371.89 g/mol
LogP5.07
Rot. Bonds7

About 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 47003849) has the molecular formula C20H18ClNO2S and a molecular weight of 371.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID47003849
Molecular FormulaC20H18ClNO2S
Molecular Weight371.89 g/mol
Exact Mass371.07
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NCc1ccco1
InChIInChI=1S/C20H18ClNO2S/c21-17-10-8-16(9-11-17)20(15-5-2-1-3-6-15)25-14-19(23)22-13-18-7-4-12-24-18/h1-12,20H,13-14H2,(H,22,23)
InChIKeyWKSSXPAMLKSLTL-UHFFFAOYSA-N
XLogP5.07
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
N-(furan-2-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062256
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
N-(furan-2-ylmethyl)-2-[(2R,3R)-3-hydroxybutan-2-yl]sulfanylacetamide
CID 96537321
2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2595050
2-[[4,6-bis[[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl]-1,3,5-triazin-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 3116887
2-[2-[2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 135680055
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 2418297
2-benzhydrylsulfinyl-N-(furan-2-ylmethyl)acetamide
CID 71815599

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 47003849) is 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide is O=C(CSC(c1ccccc1)c1ccc(Cl)cc1)NCc1ccco1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is WKSSXPAMLKSLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S/c21-17-10-8-16(9-11-17)20(15-5-2-1-3-6-15)25-14-19(23)22-13-18-7-4-12-24-18/h1-12,20H,13-14H2,(H,22,23).
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 371.89 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 47003849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).