methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate

C15H13Cl2NO3S — CID 8928493

IUPACmethyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C15H13Cl2NO3S/c1-8-6-13(22-14(8)15(20)21-2)18-12(19)7-9-10(16)4-3-5-11(9)17/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyJPVBLNXNTAWYLG-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.33
Rot. Bonds4

About methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate

methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 8928493) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID8928493
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Namemethyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1sc(NC(=O)Cc2c(Cl)cccc2Cl)cc1C
InChIInChI=1S/C15H13Cl2NO3S/c1-8-6-13(22-14(8)15(20)21-2)18-12(19)7-9-10(16)4-3-5-11(9)17/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyJPVBLNXNTAWYLG-UHFFFAOYSA-N
XLogP4.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
CID 8928494
methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 994801
ethyl 5-[[2-(2-chlorophenoxy)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 2670401
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
5-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 29045288
5-[[2-(2-methoxyphenyl)acetyl]amino]-3-methylthiophene-2-carboxylic acid
CID 43318106
5-[(2,6-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylic acid
CID 28550112
methyl 5-[(3-bromophenyl)carbamothioylamino]-3-methylthiophene-2-carboxylate
CID 9238604
ethyl 5-[(3,4-dichlorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 7942302
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 4100084
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate (CID 8928493) is methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate is COC(=O)c1sc(NC(=O)Cc2c(Cl)cccc2Cl)cc1C.
What is the InChIKey of methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is JPVBLNXNTAWYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-8-6-13(22-14(8)15(20)21-2)18-12(19)7-9-10(16)4-3-5-11(9)17/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate?
methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 358.25 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 8928493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).