N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide

C20H24ClN3O3S — CID 18282513

IUPACN-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-12-10-16(23-19(27)20(2,3)4)28-17(12)18(26)24(5)11-15(25)22-14-8-6-13(21)7-9-14/h6-10H,11H2,1-5H3,(H,22,25)(H,23,27)
InChIKeyUUXHTEMEGRLIIN-UHFFFAOYSA-N
MW421.95 g/mol
LogP4.41
Rot. Bonds5

About N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide

N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide (PubChem CID 18282513) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
PubChem CID18282513
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN3O3S/c1-12-10-16(23-19(27)20(2,3)4)28-17(12)18(26)24(5)11-15(25)22-14-8-6-13(21)7-9-14/h6-10H,11H2,1-5H3,(H,22,25)(H,23,27)
InChIKeyUUXHTEMEGRLIIN-UHFFFAOYSA-N
XLogP4.41
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide
CID 33225086
N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 2454779
5-(2,2-dimethylpropanoylamino)-N-[2-(2-fluorophenoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
CID 33257999
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33258524
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86963350
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 31182814
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
5-(cyclopropanecarbonylamino)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,3-dimethylthiophene-2-carboxamide
CID 86915596
5-bromo-N-[2-(4-chloroanilino)-2-oxoethyl]-2-hydroxy-N-methylbenzamide
CID 17431566
5-(2,2-dimethylpropanoylamino)-N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-methylthiophene-2-carboxamide
CID 24677265

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide (CID 18282513) is N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide?
The InChIKey is UUXHTEMEGRLIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-12-10-16(23-19(27)20(2,3)4)28-17(12)18(26)24(5)11-15(25)22-14-8-6-13(21)7-9-14/h6-10H,11H2,1-5H3,(H,22,25)(H,23,27).
What are the key properties of N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide?
N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide has a molecular weight of 421.95 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-2-oxoethyl]-5-(2,2-dimethylpropanoylamino)-N,3-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 18282513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).