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

C23H20ClN3O4S — CID 25051600

IUPAC5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-16-3-1-2-4-18(16)26-22(29)15-5-7-17(8-6-15)27-11-12-31-14-21(27)28/h1-10H,11-14H2,(H,25,30)(H,26,29)
InChIKeyXIFQHIVQDNXIIY-UHFFFAOYSA-N
MW469.95 g/mol
LogP3.95
Rot. Bonds6

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

5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 25051600) 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)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
PubChem CID25051600
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC Name5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-16-3-1-2-4-18(16)26-22(29)15-5-7-17(8-6-15)27-11-12-31-14-21(27)28/h1-10H,11-14H2,(H,25,30)(H,26,29)
InChIKeyXIFQHIVQDNXIIY-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

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Related Compounds

5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
CID 10250490
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
5-chloro-N-[[(5S)-3-(2-methyl-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 11575714
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376562
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376625
(3R,4S)-ethyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 24180463
5-chloro-N-((3R,4S)-1-(2-methoxyacetyl)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidin-3-yl)thiophene-2-carboxamide
CID 44434830
(3R,4S)-methyl 3-(2-chlorothiophene-5-carboxamido)-4-(4-(2-oxopyridin-1(2H)-yl)benzamido)pyrrolidine-1-carboxylate
CID 44434831
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-(2,4-dimethylphenyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 7446712
N-((1R,2S,4S)-4-((2-methoxyethyl)carbamoyl)-2-(4-(2-oxopyridin-1(2H)-yl)benzamido)cyclopentyl)-5-chlorothiophene-2-carboxamide
CID 11157000
5-chloro-N-((1R,2S)-2-(4-(2-oxopiperidin-1-yl)benzamido)cyclopentyl)thiophene-2-carboxamide
CID 11351302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide (CID 25051600) is 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide is O=C(Nc1ccccc1CNC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is XIFQHIVQDNXIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c24-20-10-9-19(32-20)23(30)25-13-16-3-1-2-4-18(16)26-22(29)15-5-7-17(8-6-15)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)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-[[4-(3-oxomorpholin-4-yl)benzoyl]amino]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)benzoyl]amino]phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 25051600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).