N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

C20H24N2O3S — CID 9117396

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1
InChIInChI=1S/C20H24N2O3S/c1-12-6-5-7-13(2)20(12)22-19(25)11-21-18(24)9-8-17(23)16-10-14(3)26-15(16)4/h5-7,10H,8-9,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDRDCGKMVMBLXSG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.70
Rot. Bonds7

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (PubChem CID 9117396) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
PubChem CID9117396
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1
InChIInChI=1S/C20H24N2O3S/c1-12-6-5-7-13(2)20(12)22-19(25)11-21-18(24)9-8-17(23)16-10-14(3)26-15(16)4/h5-7,10H,8-9,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDRDCGKMVMBLXSG-UHFFFAOYSA-N
XLogP3.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide (CID 9117396) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)NCC(=O)Nc2c(C)cccc2C)c(C)s1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
The InChIKey is DRDCGKMVMBLXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12-6-5-7-13(2)20(12)22-19(25)11-21-18(24)9-8-17(23)16-10-14(3)26-15(16)4/h5-7,10H,8-9,11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide has a molecular weight of 372.49 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide is sourced from PubChem (CID 9117396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).