N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide

C22H22N2O4S — CID 38033802

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H22N2O4S/c1-24(14-21(25)23-17-7-4-8-18(13-17)27-2)22(26)16-6-3-9-19(12-16)28-15-20-10-5-11-29-20/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyBFEOVGCSDPQINP-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.05
Rot. Bonds8

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide (PubChem CID 38033802) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
PubChem CID38033802
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2cccc(OCc3cccs3)c2)c1
InChIInChI=1S/C22H22N2O4S/c1-24(14-21(25)23-17-7-4-8-18(13-17)27-2)22(26)16-6-3-9-19(12-16)28-15-20-10-5-11-29-20/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyBFEOVGCSDPQINP-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide
CID 55958832
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9161982
4-(2-amino-2-oxoethoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 9092005
3-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-methylpropoxy)benzamide
CID 9418826
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium
CID 8965326
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55782491
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide (CID 38033802) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide is COc1cccc(NC(=O)CN(C)C(=O)c2cccc(OCc3cccs3)c2)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide?
The InChIKey is BFEOVGCSDPQINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-24(14-21(25)23-17-7-4-8-18(13-17)27-2)22(26)16-6-3-9-19(12-16)28-15-20-10-5-11-29-20/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide has a molecular weight of 410.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(thiophen-2-ylmethoxy)benzamide is sourced from PubChem (CID 38033802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).