N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

C23H28N2O4S — CID 46438757

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C23H28N2O4S/c1-15-6-5-7-16(2)23(15)24-21(28)14-25(4)22(29)13-10-18(26)9-11-19(27)20-12-8-17(3)30-20/h5-8,12H,9-11,13-14H2,1-4H3,(H,24,28)
InChIKeyBGNZXQBIKSZXJY-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.08
Rot. Bonds10

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (PubChem CID 46438757) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
PubChem CID46438757
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
SMILESCc1ccc(C(=O)CCC(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1
InChIInChI=1S/C23H28N2O4S/c1-15-6-5-7-16(2)23(15)24-21(28)14-25(4)22(29)13-10-18(26)9-11-19(27)20-12-8-17(3)30-20/h5-8,12H,9-11,13-14H2,1-4H3,(H,24,28)
InChIKeyBGNZXQBIKSZXJY-UHFFFAOYSA-N
XLogP4.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide with MolForge

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Related Compounds

N-methyl-4-(5-methylthiophen-2-yl)-4-oxo-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]butanamide
CID 9428704
4-(5-chlorothiophen-2-yl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 27808264
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
N-(2,6-dimethylphenyl)-2-[4-[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]piperazin-1-ium-1-yl]acetamide
CID 9021732
6-acetamido-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylhexanamide
CID 112791840
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 30492683
[2-(2,6-dimethylanilino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2335919
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 78797825
N-(3-chloro-2-methylphenyl)-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide
CID 39889391
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 9089002
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide (CID 46438757) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is Cc1ccc(C(=O)CCC(=O)CCC(=O)N(C)CC(=O)Nc2c(C)cccc2C)s1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
The InChIKey is BGNZXQBIKSZXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-15-6-5-7-16(2)23(15)24-21(28)14-25(4)22(29)13-10-18(26)9-11-19(27)20-12-8-17(3)30-20/h5-8,12H,9-11,13-14H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide has a molecular weight of 428.55 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-7-(5-methylthiophen-2-yl)-4,7-dioxoheptanamide is sourced from PubChem (CID 46438757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).