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

C18H20N2O7S2 — CID 24509379

IUPACmethyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H20N2O7S2/c1-25-13-4-3-12(11-15(13)29(23,24)20-7-9-27-10-8-20)17(21)19-16-6-5-14(28-16)18(22)26-2/h3-6,11H,7-10H2,1-2H3,(H,19,21)
InChIKeyDBMAGJLAASDWAK-UHFFFAOYSA-N
MW440.50 g/mol
LogP1.82
Rot. Bonds6

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

methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate (PubChem CID 24509379) has the molecular formula C18H20N2O7S2 and a molecular weight of 440.50 g/mol. Its IUPAC name is methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
PubChem CID24509379
Molecular FormulaC18H20N2O7S2
Molecular Weight440.50 g/mol
Exact Mass440.07
IUPAC Namemethyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1
InChIInChI=1S/C18H20N2O7S2/c1-25-13-4-3-12(11-15(13)29(23,24)20-7-9-27-10-8-20)17(21)19-16-6-5-14(28-16)18(22)26-2/h3-6,11H,7-10H2,1-2H3,(H,19,21)
InChIKeyDBMAGJLAASDWAK-UHFFFAOYSA-N
XLogP1.82
TPSA111.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2664930
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
N-(4-carbamoylphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 7926425
4-methoxy-3-morpholin-4-ylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 1107091
4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]-N,3-dimethylbenzamide
CID 46465140
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
propyl 4-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 4849600
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(3-cyano-5-ethylthiophen-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55906470
4-methoxy-N-[4-(4-methylphenoxy)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2676641
4-methoxy-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5058872
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate (CID 24509379) is methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)s1.
What is the InChIKey of methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is DBMAGJLAASDWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O7S2/c1-25-13-4-3-12(11-15(13)29(23,24)20-7-9-27-10-8-20)17(21)19-16-6-5-14(28-16)18(22)26-2/h3-6,11H,7-10H2,1-2H3,(H,19,21).
What are the key properties of methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate?
methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 24509379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).