methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate

C17H17Cl2NO3S — CID 994837

IUPACmethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C17H17Cl2NO3S/c1-3-4-11-9-12(17(22)23-2)16(24-11)20-15(21)8-10-5-6-13(18)14(19)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyYRSOHKKADZTGLI-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.98
Rot. Bonds6

About methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate

methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate (PubChem CID 994837) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
PubChem CID994837
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Namemethyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C17H17Cl2NO3S/c1-3-4-11-9-12(17(22)23-2)16(24-11)20-15(21)8-10-5-6-13(18)14(19)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyYRSOHKKADZTGLI-UHFFFAOYSA-N
XLogP4.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 994801
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 4100084
methyl 2-[(2-cyanoacetyl)amino]-5-propylthiophene-3-carboxylate
CID 4107402
methyl 2-[[2-(2-nitrophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 1229748
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]benzoate
CID 35727693
2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63616145
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
(1S,2S,3R,4S)-3-[(3-methoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98129183
methyl 2-chloro-4-octylbenzoate
CID 135308122
2-(3,4-dichlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 1247271
(1S,2S,3S,4R)-3-[(3-methoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11906893
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate (CID 994837) is methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OC)c(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The InChIKey is YRSOHKKADZTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-3-4-11-9-12(17(22)23-2)16(24-11)20-15(21)8-10-5-6-13(18)14(19)7-10/h5-7,9H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate has a molecular weight of 386.30 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 994837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).