[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate

C15H15ClN2O6S2 — CID 46648512

IUPAC[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClN2O6S2/c1-8(14(19)18-11-6-10(16)3-4-12(11)23-2)24-15(20)9-5-13(25-7-9)26(17,21)22/h3-8H,1-2H3,(H,18,19)(H2,17,21,22)
InChIKeySWCUGXMNNUFRJH-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.24
Rot. Bonds6

About [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate

[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate (PubChem CID 46648512) has the molecular formula C15H15ClN2O6S2 and a molecular weight of 418.88 g/mol. Its IUPAC name is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate.

Molecular Properties

Compound Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
PubChem CID46648512
Molecular FormulaC15H15ClN2O6S2
Molecular Weight418.88 g/mol
Exact Mass418.01
IUPAC Name[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)OC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15ClN2O6S2/c1-8(14(19)18-11-6-10(16)3-4-12(11)23-2)24-15(20)9-5-13(25-7-9)26(17,21)22/h3-8H,1-2H3,(H,18,19)(H2,17,21,22)
InChIKeySWCUGXMNNUFRJH-UHFFFAOYSA-N
XLogP2.24
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate with MolForge

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Related Compounds

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 46684045
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-iodobenzoate
CID 55320034
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-dimethylbenzoate
CID 3600010
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] benzoate
CID 17419639
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42984811
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506364
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 2606991
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-methylsulfonylbenzoate
CID 2528569
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 8708079
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 3-bromobenzoate
CID 2495461
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-methoxybenzoate
CID 2506054
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 27936534

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The IUPAC name of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate (CID 46648512) is [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate.
What is the SMILES notation for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The canonical SMILES for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate is COc1ccc(Cl)cc1NC(=O)C(C)OC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
The InChIKey is SWCUGXMNNUFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O6S2/c1-8(14(19)18-11-6-10(16)3-4-12(11)23-2)24-15(20)9-5-13(25-7-9)26(17,21)22/h3-8H,1-2H3,(H,18,19)(H2,17,21,22).
What are the key properties of [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate?
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate has a molecular weight of 418.88 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate is sourced from PubChem (CID 46648512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).