5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide

C23H20ClN3O5S — CID 25051766

IUPAC5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(O)cccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H20ClN3O5S/c24-19-9-8-18(33-19)23(31)25-12-15-2-1-3-17(28)21(15)26-22(30)14-4-6-16(7-5-14)27-10-11-32-13-20(27)29/h1-9,28H,10-13H2,(H,25,31)(H,26,30)
InChIKeyPCOHRUNCRXJHLR-UHFFFAOYSA-N
MW485.95 g/mol
LogP3.65
Rot. Bonds6

About 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 25051766) has the molecular formula C23H20ClN3O5S and a molecular weight of 485.95 g/mol. Its IUPAC name is 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
PubChem CID25051766
Molecular FormulaC23H20ClN3O5S
Molecular Weight485.95 g/mol
Exact Mass485.08
IUPAC Name5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1c(O)cccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H20ClN3O5S/c24-19-9-8-18(33-19)23(31)25-12-15-2-1-3-17(28)21(15)26-22(30)14-4-6-16(7-5-14)27-10-11-32-13-20(27)29/h1-9,28H,10-13H2,(H,25,31)(H,26,30)
InChIKeyPCOHRUNCRXJHLR-UHFFFAOYSA-N
XLogP3.65
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-[[1-[4-(3-oxomorpholin-4-yl)phenyl]-3-pyridin-4-ylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436936
5-chloro-N-[[1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 25099710
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
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
5-chloro-N-[(2R)-2-[2,2-difluoroethyl(methyl)amino]-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90948345
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
[(2S)-1-chloro-3-[(5-chlorothiophene-2-carbonyl)amino]propan-2-yl]-[4-(3-oxomorpholin-4-yl)phenyl]carbamic acid
CID 118060763
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
5-chloro-N-[3-hydroxy-1-oxo-2-[4-(3-oxomorpholin-4-yl)phenyl]-3H-isoindol-4-yl]thiophene-2-carboxamide
CID 24811081
5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567
5-chloro-N-[[1-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-3-phenylpyrazol-4-yl]methyl]thiophene-2-carboxamide
CID 57436930

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide (CID 25051766) is 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1c(O)cccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PCOHRUNCRXJHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O5S/c24-19-9-8-18(33-19)23(31)25-12-15-2-1-3-17(28)21(15)26-22(30)14-4-6-16(7-5-14)27-10-11-32-13-20(27)29/h1-9,28H,10-13H2,(H,25,31)(H,26,30).
What are the key properties of 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 485.95 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-hydroxy-2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25051766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).