N-acetyl-2-benzhydrylsulfanylacetamide

C17H17NO2S — CID 23347852

IUPACN-acetyl-2-benzhydrylsulfanylacetamide
SMILESCC(=O)NC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-13(19)18-16(20)12-21-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H,18,19,20)
InChIKeyDORYYBYFEGOHIC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.17
Rot. Bonds5

About N-acetyl-2-benzhydrylsulfanylacetamide

N-acetyl-2-benzhydrylsulfanylacetamide (PubChem CID 23347852) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-acetyl-2-benzhydrylsulfanylacetamide.

Molecular Properties

Compound NameN-acetyl-2-benzhydrylsulfanylacetamide
PubChem CID23347852
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC NameN-acetyl-2-benzhydrylsulfanylacetamide
SMILESCC(=O)NC(=O)CSC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO2S/c1-13(19)18-16(20)12-21-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H,18,19,20)
InChIKeyDORYYBYFEGOHIC-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273294
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
ethane;1-[(4-hydroxyphenyl)-phenylmethyl]sulfanylpropan-2-one
CID 142273293
2-benzhydrylsulfanyl-N-(5-methyl-2-pyridinyl)acetamide
CID 46651551
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
sodium 2-benzhydrylsulfanylacetate
CID 23709373
S-(2-acetamido-2-oxoethyl) benzenecarbothioate
CID 12837857
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide
CID 86932181
2-benzhydrylsulfanyl-N-(3-methyl-2-pyridinyl)acetamide
CID 27896934
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-benzhydrylsulfanylacetamide?
The IUPAC name of N-acetyl-2-benzhydrylsulfanylacetamide (CID 23347852) is N-acetyl-2-benzhydrylsulfanylacetamide.
What is the SMILES notation for N-acetyl-2-benzhydrylsulfanylacetamide?
The canonical SMILES for N-acetyl-2-benzhydrylsulfanylacetamide is CC(=O)NC(=O)CSC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-acetyl-2-benzhydrylsulfanylacetamide?
The InChIKey is DORYYBYFEGOHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-13(19)18-16(20)12-21-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12H2,1H3,(H,18,19,20).
What are the key properties of N-acetyl-2-benzhydrylsulfanylacetamide?
N-acetyl-2-benzhydrylsulfanylacetamide has a molecular weight of 299.40 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-benzhydrylsulfanylacetamide is sourced from PubChem (CID 23347852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).