methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate

C18H20ClNO4S — CID 43981331

IUPACmethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc(C)c1C
InChIInChI=1S/C18H20ClNO4S/c1-10-11(2)25-15(14(10)16(21)23-5)20-17(22)18(3,4)24-13-8-6-12(19)7-9-13/h6-9H,1-5H3,(H,20,22)
InChIKeyXHPHPNQZWUSWSI-UHFFFAOYSA-N
MW381.88 g/mol
LogP4.60
Rot. Bonds5

About methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate

methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate (PubChem CID 43981331) has the molecular formula C18H20ClNO4S and a molecular weight of 381.88 g/mol. Its IUPAC name is methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
PubChem CID43981331
Molecular FormulaC18H20ClNO4S
Molecular Weight381.88 g/mol
Exact Mass381.08
IUPAC Namemethyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc(C)c1C
InChIInChI=1S/C18H20ClNO4S/c1-10-11(2)25-15(14(10)16(21)23-5)20-17(22)18(3,4)24-13-8-6-12(19)7-9-13/h6-9H,1-5H3,(H,20,22)
InChIKeyXHPHPNQZWUSWSI-UHFFFAOYSA-N
XLogP4.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4-cyano-3-methylthiophene-2-carboxylate
CID 51409061
methyl 2-[(3-amino-2,2-dimethylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 115426626
methyl 4,5-dimethyl-2-[[2,2,3,3,4,4,5,5-octafluoro-6-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-6-oxohexanoyl]amino]thiophene-3-carboxylate
CID 4155191
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
methyl 2-[(2-amino-2-cyclopropylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 61260571
methyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 1245265
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
methyl 4,5-dimethyl-2-(3-methylbut-2-enoylamino)thiophene-3-carboxylate
CID 113220579
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2-(4-chlorophenoxy)-N-(4-iodo-2-methylphenyl)-2-methylpropanamide
CID 1257164
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
ethyl 2-[(4-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 587143

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate (CID 43981331) is methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate is COC(=O)c1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)sc(C)c1C.
What is the InChIKey of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is XHPHPNQZWUSWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4S/c1-10-11(2)25-15(14(10)16(21)23-5)20-17(22)18(3,4)24-13-8-6-12(19)7-9-13/h6-9H,1-5H3,(H,20,22).
What are the key properties of methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate?
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 381.88 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 43981331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).