2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide

C23H25N3O2S — CID 8804593

IUPAC2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2sccc2C)c1
InChIInChI=1S/C23H25N3O2S/c1-16-7-6-8-18(13-16)24-23(28)19-9-4-5-10-20(19)25-22(27)15-26(3)14-21-17(2)11-12-29-21/h4-13H,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyASEMKTAPSHQZRC-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.69
Rot. Bonds7

About 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 8804593) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID8804593
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2sccc2C)c1
InChIInChI=1S/C23H25N3O2S/c1-16-7-6-8-18(13-16)24-23(28)19-9-4-5-10-20(19)25-22(27)15-26(3)14-21-17(2)11-12-29-21/h4-13H,14-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyASEMKTAPSHQZRC-UHFFFAOYSA-N
XLogP4.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]benzamide
CID 9434073
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
2-[[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 25485284
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 9433713
2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 47020960
N-(3-chloro-4-methylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433715
N-(2,5-dichlorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9433733
N-(5-chloro-2-fluorophenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 9434187
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
N-(4-chloro-2,5-dimethoxyphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 51286626

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 8804593) is 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)Cc2sccc2C)c1.
What is the InChIKey of 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is ASEMKTAPSHQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-7-6-8-18(13-16)24-23(28)19-9-4-5-10-20(19)25-22(27)15-26(3)14-21-17(2)11-12-29-21/h4-13H,14-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 407.54 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 8804593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).