N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide

C21H20N2O2S — CID 4784886

IUPACN-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C21H20N2O2S/c1-15-7-5-8-16(13-15)20(24)22-19-11-4-3-10-18(19)21(25)23(2)14-17-9-6-12-26-17/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyKTTBVAXPGSYJKG-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.58
Rot. Bonds5

About N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide

N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 4784886) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID4784886
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2cccs2)c1
InChIInChI=1S/C21H20N2O2S/c1-15-7-5-8-16(13-15)20(24)22-19-11-4-3-10-18(19)21(25)23(2)14-17-9-6-12-26-17/h3-13H,14H2,1-2H3,(H,22,24)
InChIKeyKTTBVAXPGSYJKG-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 112790282
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507
2-chloro-N-[2-[methyl(thiophen-2-ylmethyl)carbamoyl]phenyl]-4-nitrobenzamide
CID 38741321
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
3-amino-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527192
benzyl 2-[(3-methylbenzoyl)amino]benzoate
CID 956272
2-benzamido-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylbenzamide
CID 34765093
N-methyl-2-[(3-methylbenzoyl)amino]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551107
3-amino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 43527201
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
2-chloroprop-2-enyl 2-[(3-methylbenzoyl)amino]benzoate
CID 46678769

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide (CID 4784886) is N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide is Cc1cccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2cccs2)c1.
What is the InChIKey of N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KTTBVAXPGSYJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-15-7-5-8-16(13-15)20(24)22-19-11-4-3-10-18(19)21(25)23(2)14-17-9-6-12-26-17/h3-13H,14H2,1-2H3,(H,22,24).
What are the key properties of N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide?
N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 364.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylbenzoyl)amino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 4784886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).