N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide

C16H17ClN2O3S — CID 24982363

IUPACN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C)s1
InChIInChI=1S/C16H17ClN2O3S/c1-10-4-7-14(23-10)16(21)19(2)9-15(20)18-12-8-11(17)5-6-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyMHMSEDDKULVFJY-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide

N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide (PubChem CID 24982363) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide
PubChem CID24982363
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C)s1
InChIInChI=1S/C16H17ClN2O3S/c1-10-4-7-14(23-10)16(21)19(2)9-15(20)18-12-8-11(17)5-6-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,20)
InChIKeyMHMSEDDKULVFJY-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-N-cyclopropylthiophene-2-carboxamide
CID 20947670
Thiophene-3-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9999428
5-Methyl-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10091635
3-Chloro-thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10364070
5-Methyl-thiophene-2-carboxylic acid {2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethyl}-amide
CID 10473644
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}thiophene-3-carboxamide
CID 11725128
1-(5-(4-(5-Chloro-2-methoxyphenyl)piperazine-1-carbonyl)thiophen-2-yl)-2,2,2-trifluoroethanone
CID 44589733
1-(2-Methoxyphenyl)-4-(thiophene-2-carbonyl)piperazine
CID 694533
N-(2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1247619
(2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2559010

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide (CID 24982363) is N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(C)s1.
What is the InChIKey of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide?
The InChIKey is MHMSEDDKULVFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-10-4-7-14(23-10)16(21)19(2)9-15(20)18-12-8-11(17)5-6-13(12)22-3/h4-8H,9H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide?
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide has a molecular weight of 352.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 24982363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).