ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate

C19H22N2O6S2 — CID 2349173

IUPACethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C19H22N2O6S2/c1-3-27-19(23)17-13(2)12-16(28-17)20-18(22)14-4-6-15(7-5-14)29(24,25)21-8-10-26-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyQAHFXGJKIQAMTO-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.51
Rot. Bonds6

About ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate (PubChem CID 2349173) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
PubChem CID2349173
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Nameethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C19H22N2O6S2/c1-3-27-19(23)17-13(2)12-16(28-17)20-18(22)14-4-6-15(7-5-14)29(24,25)21-8-10-26-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,20,22)
InChIKeyQAHFXGJKIQAMTO-UHFFFAOYSA-N
XLogP2.51
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate (CID 2349173) is ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is QAHFXGJKIQAMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-3-27-19(23)17-13(2)12-16(28-17)20-18(22)14-4-6-15(7-5-14)29(24,25)21-8-10-26-11-9-21/h4-7,12H,3,8-11H2,1-2H3,(H,20,22).
What are the key properties of ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-[(4-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2349173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).