N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

C21H24N2O5S — CID 46409125

IUPACN-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCOc1ccc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)cc1NC(C)=O
InChIInChI=1S/C21H24N2O5S/c1-13-4-10-20(29-13)18(26)8-6-16(25)7-11-21(27)23-15-5-9-19(28-3)17(12-15)22-14(2)24/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,22,24)(H,23,27)
InChIKeySEGJEJGRFGFZBR-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.97
Rot. Bonds10

About N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (PubChem CID 46409125) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
PubChem CID46409125
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCOc1ccc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)cc1NC(C)=O
InChIInChI=1S/C21H24N2O5S/c1-13-4-10-20(29-13)18(26)8-6-16(25)7-11-21(27)23-15-5-9-19(28-3)17(12-15)22-14(2)24/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,22,24)(H,23,27)
InChIKeySEGJEJGRFGFZBR-UHFFFAOYSA-N
XLogP3.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide with MolForge

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Related Compounds

[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 8562092
N-[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17476660
N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 38627862
N-(3-acetamido-4-methoxyphenyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 35347912
N-[3-(2,2-dimethylpropanoylamino)phenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55631776
N-[4-methyl-3-[[7-(5-methylthiophen-2-yl)-4,7-dioxoheptanoyl]amino]phenyl]benzamide
CID 60517612
N-[2-(2-methoxyethoxy)-4-methylphenyl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55950666
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 55601562
N-(4-bromo-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 46600478
N-(3-acetamido-4-methoxyphenyl)-5-bromothiophene-2-carboxamide
CID 33307814
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(5-acetamido-2-methoxyphenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 26889665

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (CID 46409125) is N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is COc1ccc(NC(=O)CCC(=O)CCC(=O)c2ccc(C)s2)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The InChIKey is SEGJEJGRFGFZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-13-4-10-20(29-13)18(26)8-6-16(25)7-11-21(27)23-15-5-9-19(28-3)17(12-15)22-14(2)24/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,22,24)(H,23,27).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide has a molecular weight of 416.50 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is sourced from PubChem (CID 46409125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).