5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane

C21H24ClN3O5S — CID 143254138

IUPAC5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
SMILESCOC.O=C(NC1CC(=O)N(c2ccc(N3CCOCC3=O)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O4S.C2H6O/c20-16-6-5-15(28-16)19(26)21-12-9-17(24)23(10-12)14-3-1-13(2-4-14)22-7-8-27-11-18(22)25;1-3-2/h1-6,12H,7-11H2,(H,21,26);1-2H3
InChIKeyFAWQJOPQKDLFLO-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.56
Rot. Bonds4

About 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane

5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane (PubChem CID 143254138) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane.

Molecular Properties

Compound Name5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
PubChem CID143254138
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC Name5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane
SMILESCOC.O=C(NC1CC(=O)N(c2ccc(N3CCOCC3=O)cc2)C1)c1ccc(Cl)s1
InChIInChI=1S/C19H18ClN3O4S.C2H6O/c20-16-6-5-15(28-16)19(26)21-12-9-17(24)23(10-12)14-3-1-13(2-4-14)22-7-8-27-11-18(22)25;1-3-2/h1-6,12H,7-11H2,(H,21,26);1-2H3
InChIKeyFAWQJOPQKDLFLO-UHFFFAOYSA-N
XLogP2.56
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-N-[(3R)-5-oxo-1-[5-(3-oxomorpholin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 11568908
5-chloro-N-[[(4R,5S)-4-hydroxy-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 94005071
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
5-chloro-N-[3-hydroxy-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 24811081
(1R)-3-[(5-chlorothiophene-2-carbonyl)amino]-1-(cyanomethyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-1-ium-1-carboxamide
CID 91244712
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
5-ethynyl-N-[1-[6-methyl-5-(3-oxomorpholin-4-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 72983870
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
5-chloro-N-[(3R,4S)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]oxolan-3-yl]thiophene-2-carboxamide
CID 90891307
CID 89075726
CID 89075726
5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
CID 118067168

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane?
The IUPAC name of 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane (CID 143254138) is 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane.
What is the SMILES notation for 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane?
The canonical SMILES for 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane is COC.O=C(NC1CC(=O)N(c2ccc(N3CCOCC3=O)cc2)C1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane?
The InChIKey is FAWQJOPQKDLFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S.C2H6O/c20-16-6-5-15(28-16)19(26)21-12-9-17(24)23(10-12)14-3-1-13(2-4-14)22-7-8-27-11-18(22)25;1-3-2/h1-6,12H,7-11H2,(H,21,26);1-2H3.
What are the key properties of 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane?
5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane has a molecular weight of 465.96 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-oxo-1-[4-(3-oxomorpholin-4-yl)phenyl]pyrrolidin-3-yl]thiophene-2-carboxamide;methoxymethane is sourced from PubChem (CID 143254138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).