4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

C21H20N2O3S — CID 17358957

IUPAC4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)c(C)c2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14-12-16(22-21(25)15-5-8-17(26-2)9-6-15)7-10-19(14)23-20(24)13-18-4-3-11-27-18/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRTBKJHAAHTWKNR-UHFFFAOYSA-N
MW380.47 g/mol
LogP4.50
Rot. Bonds6

About 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide (PubChem CID 17358957) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
PubChem CID17358957
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)c(C)c2)cc1
InChIInChI=1S/C21H20N2O3S/c1-14-12-16(22-21(25)15-5-8-17(26-2)9-6-15)7-10-19(14)23-20(24)13-18-4-3-11-27-18/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyRTBKJHAAHTWKNR-UHFFFAOYSA-N
XLogP4.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 6496844
N-[4-[(4-methoxybenzoyl)amino]-2-methylphenyl]thiophene-2-carboxamide
CID 9324777
N-[2,5-diethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]-4-methoxybenzamide
CID 1441376
N-(4-methoxyphenyl)-2-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 2975011
3-methyl-N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 86821541
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
4-chloro-N-(2-methylphenyl)-3-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 7312069
4-methoxy-3-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63742917
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 2233816
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide (CID 17358957) is 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)c(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The InChIKey is RTBKJHAAHTWKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-14-12-16(22-21(25)15-5-8-17(26-2)9-6-15)7-10-19(14)23-20(24)13-18-4-3-11-27-18/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide has a molecular weight of 380.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[3-methyl-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 17358957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).