N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

C21H20N2O4S — CID 1164412

IUPACN-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C21H20N2O4S/c1-26-18-13-17(23-21(25)14-7-4-3-5-8-14)19(27-2)12-16(18)22-20(24)11-15-9-6-10-28-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGMVAZUJXKIMMZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.20
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide

N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide (PubChem CID 1164412) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
PubChem CID1164412
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1
InChIInChI=1S/C21H20N2O4S/c1-26-18-13-17(23-21(25)14-7-4-3-5-8-14)19(27-2)12-16(18)22-20(24)11-15-9-6-10-28-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyLGMVAZUJXKIMMZ-UHFFFAOYSA-N
XLogP4.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-(4-amino-2,5-diethoxyphenyl)-
CID 67108
Fast Blue RR
CID 93116
4-Benzoylamino-2,5-dimethoxyaniline
CID 80442
3-{1-[(5-Acetylthiophen-2-Yl)carbonyl]piperidin-4-Yl}-N-(3-Methoxyphenyl)propanamide
CID 24790658
Thiophene-2-carboxylic acid (4-methoxy-biphenyl-3-yl)-amide
CID 1109361
N-{2-[(2-methoxyanilino)carbonyl]phenyl}-2-thiophenecarboxamide
CID 1116978
2-((3-Methoxyphenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate
CID 2352927
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2908119
N-{4-[(4-ethoxy-3-nitrobenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 3697247
N-(2,5-Dimethoxyphenyl)-2-{[(3-methylthiophen-2-YL)methyl]amino}-4H,5H,6H,7H,8H-cyclohepta[B]thiophene-3-carboxamide
CID 4611917
N-(3-methoxyphenyl)-N-methyl-5-phenylthiophene-2-carboxamide
CID 60196497
5-(3-(Dimethylamino)phenyl)-N-(3-methoxyphenyl)-N-methylthiophene-2-carboxamide
CID 60196601

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide (CID 1164412) is N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)Cc1cccs1.
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
The InChIKey is LGMVAZUJXKIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-26-18-13-17(23-21(25)14-7-4-3-5-8-14)19(27-2)12-16(18)22-20(24)11-15-9-6-10-28-15/h3-10,12-13H,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-thiophen-2-ylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 1164412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).