methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate

C10H11Cl2NO4S — CID 166385244

IUPACmethyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)c(Cl)c1NC(=O)C(C)OC
InChIInChI=1S/C10H11Cl2NO4S/c1-4(16-2)9(14)13-6-5(11)8(12)18-7(6)10(15)17-3/h4H,1-3H3,(H,13,14)
InChIKeyWTIBBDXNSQELST-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.81
Rot. Bonds4

About methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate

methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate (PubChem CID 166385244) has the molecular formula C10H11Cl2NO4S and a molecular weight of 312.17 g/mol. Its IUPAC name is methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate
PubChem CID166385244
Molecular FormulaC10H11Cl2NO4S
Molecular Weight312.17 g/mol
Exact Mass310.98
IUPAC Namemethyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(Cl)c(Cl)c1NC(=O)C(C)OC
InChIInChI=1S/C10H11Cl2NO4S/c1-4(16-2)9(14)13-6-5(11)8(12)18-7(6)10(15)17-3/h4H,1-3H3,(H,13,14)
InChIKeyWTIBBDXNSQELST-UHFFFAOYSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-(2,3,4,5,6-pentafluorophenyl)propanamide
CID 113225588
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
methyl (2S)-2-[(3,4,5-trichlorothiophene-2-carbonyl)amino]propanoate
CID 156523826
methyl 3-(2-bromopropanoylamino)-1-benzothiophene-2-carboxylate
CID 107903129
N-(3,5-dichloro-4-hydroxyphenyl)-2-methoxypropanamide
CID 115875463
methyl 3-[(2-amino-3-methylbutanoyl)amino]-1-benzothiophene-2-carboxylate
CID 61258305
methyl 3-[(3-amino-2-methoxypropanoyl)amino]-1-benzothiophene-2-carboxylate
CID 106112483
methyl 4-chloro-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 60844910
dimethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 3625015
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
methyl 4-chloro-5-(2-methylpropyl)thiophene-2-carboxylate
CID 97034573
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate (CID 166385244) is methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate is COC(=O)c1sc(Cl)c(Cl)c1NC(=O)C(C)OC.
What is the InChIKey of methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate?
The InChIKey is WTIBBDXNSQELST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO4S/c1-4(16-2)9(14)13-6-5(11)8(12)18-7(6)10(15)17-3/h4H,1-3H3,(H,13,14).
What are the key properties of methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate?
methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate has a molecular weight of 312.17 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dichloro-3-(2-methoxypropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 166385244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).