N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

C19H23ClN2O4S — CID 24583629

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-10-7-15(22-18(24)19(2,3)4)27-16(10)17(23)21-12-8-11(20)13(25-5)9-14(12)26-6/h7-9H,1-6H3,(H,21,23)(H,22,24)
InChIKeyCKGJBIYMOFWZNY-UHFFFAOYSA-N
MW410.92 g/mol
LogP4.96
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (PubChem CID 24583629) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
PubChem CID24583629
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-10-7-15(22-18(24)19(2,3)4)27-16(10)17(23)21-12-8-11(20)13(25-5)9-14(12)26-6/h7-9H,1-6H3,(H,21,23)(H,22,24)
InChIKeyCKGJBIYMOFWZNY-UHFFFAOYSA-N
XLogP4.96
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310
N-[(2,5-dimethoxyphenyl)methyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 34866981
5-(2,2-dimethylpropanoylamino)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylthiophene-2-carboxamide
CID 24583869
N-[5-[(5-chloro-2-methoxyphenyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 34754518
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
N-(5-chloro-2-methoxy-4-methylphenyl)-2-hydroxy-2-methylpropanamide
CID 115178540
5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
CID 111485903
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 46553648
N-(5-chloro-2,4-dimethoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42058339

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide (CID 24583629) is N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is COc1cc(OC)c(NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
The InChIKey is CKGJBIYMOFWZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-10-7-15(22-18(24)19(2,3)4)27-16(10)17(23)21-12-8-11(20)13(25-5)9-14(12)26-6/h7-9H,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide has a molecular weight of 410.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 24583629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).