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

C17H17Cl2NO3S — CID 994801

IUPACmethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H17Cl2NO3S/c1-3-5-10-8-12(17(22)23-2)16(24-10)20-15(21)9-11-13(18)6-4-7-14(11)19/h4,6-8H,3,5,9H2,1-2H3,(H,20,21)
InChIKeyRAWFJNMSDJGRMK-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.98
Rot. Bonds6

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

methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate (PubChem CID 994801) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
PubChem CID994801
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC Namemethyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
SMILESCCCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C17H17Cl2NO3S/c1-3-5-10-8-12(17(22)23-2)16(24-10)20-15(21)9-11-13(18)6-4-7-14(11)19/h4,6-8H,3,5,9H2,1-2H3,(H,20,21)
InChIKeyRAWFJNMSDJGRMK-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-chloro-6-fluorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 4100084
methyl 2-[[2-(3,4-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 994837
methyl 2-[[2-(2-nitrophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 1229748
methyl 2-[(2-cyanoacetyl)amino]-5-propylthiophene-3-carboxylate
CID 4107402
methyl 5-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-methylthiophene-2-carboxylate
CID 8928493
ethyl 2-(2-methylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095194
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
(1S,2S,3R,4S)-3-[(3-methoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98129183
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
(1S,2S,3S,4R)-3-[(3-methoxycarbonyl-5-propylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylate
CID 11906893
ethyl 2-(2,2-dimethylpropanoylamino)-5-propylthiophene-3-carboxylate
CID 46095200

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate (CID 994801) is methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate is CCCc1cc(C(=O)OC)c(NC(=O)Cc2c(Cl)cccc2Cl)s1.
What is the InChIKey of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
The InChIKey is RAWFJNMSDJGRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-3-5-10-8-12(17(22)23-2)16(24-10)20-15(21)9-11-13(18)6-4-7-14(11)19/h4,6-8H,3,5,9H2,1-2H3,(H,20,21).
What are the key properties of methyl 2-[[2-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate?
methyl 2-[[2-(2,6-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-(2,6-dichlorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate is sourced from PubChem (CID 994801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).