2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide

C16H15ClN2O2S — CID 958766

IUPAC2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyPBEMKGJVBDLNRP-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.31
Rot. Bonds6

About 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide

2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 958766) has the molecular formula C16H15ClN2O2S and a molecular weight of 334.83 g/mol. Its IUPAC name is 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID958766
Molecular FormulaC16H15ClN2O2S
Molecular Weight334.83 g/mol
Exact Mass334.05
IUPAC Name2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl
InChIInChI=1S/C16H15ClN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20)
InChIKeyPBEMKGJVBDLNRP-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-bromophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 126032735
N-(4-amino-2-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 103288420
2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 958774
3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 9162762
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
2-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8969240
2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzamide
CID 110676330
N-(2-chloro-5-nitrophenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 17359160
3-[[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53278987
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]-4,5-dimethoxybenzoate
CID 9322415

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide (CID 958766) is 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CSCc1ccccc1Cl.
What is the InChIKey of 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is PBEMKGJVBDLNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2S/c17-13-7-3-1-5-11(13)9-22-10-15(20)19-14-8-4-2-6-12(14)16(18)21/h1-8H,9-10H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 334.83 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 958766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).