2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

C21H19NOS2 — CID 1332250

IUPAC2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NOS2/c23-21(16-25-20-9-5-2-6-10-20)22-18-13-11-17(12-14-18)15-24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,22,23)
InChIKeyCEXYZXHABBFWMM-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.71
Rot. Bonds7

About 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide

2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (PubChem CID 1332250) has the molecular formula C21H19NOS2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
PubChem CID1332250
Molecular FormulaC21H19NOS2
Molecular Weight365.52 g/mol
Exact Mass365.09
IUPAC Name2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
SMILESO=C(CSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C21H19NOS2/c23-21(16-25-20-9-5-2-6-10-20)22-18-13-11-17(12-14-18)15-24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,22,23)
InChIKeyCEXYZXHABBFWMM-UHFFFAOYSA-N
XLogP5.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 28565140
N-methyl-2-[4-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 134062919
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylacetamide
CID 19712455
1-methyl-3-[4-(phenylsulfanylmethyl)phenyl]urea
CID 134116571
N-[4-(2-anilino-2-oxoethyl)sulfanylphenyl]-2-(4-chlorophenyl)acetamide
CID 22775721
methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate
CID 807677
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
1-phenyl-3-[4-(phenylsulfanylmethyl)phenyl]thiourea
CID 1316504
N-[4-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 1093493
3-(2-fluorophenyl)-N-[4-(phenylsulfanylmethyl)phenyl]propanamide
CID 100714513

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The IUPAC name of 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide (CID 1332250) is 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is O=C(CSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
The InChIKey is CEXYZXHABBFWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS2/c23-21(16-25-20-9-5-2-6-10-20)22-18-13-11-17(12-14-18)15-24-19-7-3-1-4-8-19/h1-14H,15-16H2,(H,22,23).
What are the key properties of 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide?
2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-[4-(phenylsulfanylmethyl)phenyl]acetamide is sourced from PubChem (CID 1332250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).