2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide

C22H20ClNOS — CID 47003835

IUPAC2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H20ClNOS/c23-20-14-8-7-13-19(20)15-24-21(25)16-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H,24,25)
InChIKeyBGXYKVAQFFAUHF-UHFFFAOYSA-N
MW381.93 g/mol
LogP5.48
Rot. Bonds7

About 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide

2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 47003835) has the molecular formula C22H20ClNOS and a molecular weight of 381.93 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID47003835
Molecular FormulaC22H20ClNOS
Molecular Weight381.93 g/mol
Exact Mass381.10
IUPAC Name2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl
InChIInChI=1S/C22H20ClNOS/c23-20-14-8-7-13-19(20)15-24-21(25)16-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H,24,25)
InChIKeyBGXYKVAQFFAUHF-UHFFFAOYSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.93
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
N'-(2-benzhydrylsulfanylacetyl)-2-chlorobenzohydrazide
CID 9339375
2-(8-chloronaphthalen-1-yl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 2679594
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
N-[(2-chlorophenyl)methyl]-2-(2,5-difluorophenyl)sulfanylacetamide
CID 9209761
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 47003849
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
N-benzyl-N'-[(2-chlorophenyl)methyl]propanediamide
CID 108945203
N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenyl)sulfanylacetamide
CID 9046111
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide (CID 47003835) is 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide is O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccccc1Cl.
What is the InChIKey of 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is BGXYKVAQFFAUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNOS/c23-20-14-8-7-13-19(20)15-24-21(25)16-26-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,22H,15-16H2,(H,24,25).
What are the key properties of 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide?
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 381.93 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 47003835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).