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

C23H20ClN3O4S — CID 53317127

IUPAC5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-15-3-1-2-4-18(15)22(29)26-16-5-7-17(8-6-16)27-11-12-31-14-21(27)28/h1-10H,11-14H2,(H,25,30)(H,26,29)
InChIKeyZWNLIYVZQONFMA-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.95
Rot. Bonds6

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

5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 53317127) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID53317127
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-15-3-1-2-4-18(15)22(29)26-16-5-7-17(8-6-16)27-11-12-31-14-21(27)28/h1-10H,11-14H2,(H,25,30)(H,26,29)
InChIKeyZWNLIYVZQONFMA-UHFFFAOYSA-N
XLogP3.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide
CID 11562451
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376625
2-Thiophenecarboxamide, 5-chloro-N-[(1R)-1-(methoxymethyl)-2-[[3-methyl-4-(3-oxo-4-morpholinyl)phenyl]amino]-2-oxoethyl]-
CID 11465140
N-{2-[4-(3-Oxomorpholin-4-yl)benzoylamino]benzyl}-5-chlorothiophene-2-carboxamide
CID 25051600
5-chloro-N-((1R,2S,4S)-4-(morpholine-4-carbonyl)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 44434812
[2-(N-methylanilino)-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2425149
N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2521230
5-ethyl-4-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 7409115
5-chloro-N-[(2R)-4-methyl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopentan-2-yl]thiophene-2-carboxamide
CID 9934133
5-Chloro-thiophene-2-carboxylic acid {(R)-1-[3-methyl-4-(3-oxo-morpholin-4-yl)-phenylcarbamoyl]-butyl}-amide
CID 10433872
5-chloro-N-[(2R)-3-ethoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 44395871
N-(2-(4-(3-oxomorpholino)phenylcarbamoyl)ethyl)-5-chlorothiophene-2-carboxamide
CID 9978767

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 53317127) is 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccccc1C(=O)Nc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is ZWNLIYVZQONFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-15-3-1-2-4-18(15)22(29)26-16-5-7-17(8-6-16)27-11-12-31-14-21(27)28/h1-10H,11-14H2,(H,25,30)(H,26,29).
What are the key properties of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 469.95 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53317127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).