N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide

C23H22N2O3S — CID 52772307

IUPACN-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccccc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-13-7-8-14-21(20)29-16-22(26)25-19-12-6-5-11-18(19)23(27)24-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyRJBONKIXCHBMRJ-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.36
Rot. Bonds8

About N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide

N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 52772307) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide
PubChem CID52772307
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide
SMILESCOc1ccccc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C23H22N2O3S/c1-28-20-13-7-8-14-21(20)29-16-22(26)25-19-12-6-5-11-18(19)23(27)24-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26)
InChIKeyRJBONKIXCHBMRJ-UHFFFAOYSA-N
XLogP4.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
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N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
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2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-N-benzylbenzamide
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[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181
N-benzyl-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]benzamide
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2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
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2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide (CID 52772307) is N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide is COc1ccccc1SCC(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is RJBONKIXCHBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-28-20-13-7-8-14-21(20)29-16-22(26)25-19-12-6-5-11-18(19)23(27)24-15-17-9-3-2-4-10-17/h2-14H,15-16H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide?
N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 406.51 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2-methoxyphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 52772307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).