5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide

C18H20ClN3O4S — CID 90258799

IUPAC5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
SMILESNC(=O)c1sc(Cl)cc1CC(O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-15-8-11(17(27-15)18(20)25)7-14(23)9-21-12-1-3-13(4-2-12)22-5-6-26-10-16(22)24/h1-4,8,14,21,23H,5-7,9-10H2,(H2,20,25)
InChIKeyXVBMBLXHPIDGHA-UHFFFAOYSA-N
MW409.90 g/mol
LogP1.88
Rot. Bonds7

About 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide

5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide (PubChem CID 90258799) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
PubChem CID90258799
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
SMILESNC(=O)c1sc(Cl)cc1CC(O)CNc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C18H20ClN3O4S/c19-15-8-11(17(27-15)18(20)25)7-14(23)9-21-12-1-3-13(4-2-12)22-5-6-26-10-16(22)24/h1-4,8,14,21,23H,5-7,9-10H2,(H2,20,25)
InChIKeyXVBMBLXHPIDGHA-UHFFFAOYSA-N
XLogP1.88
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-[[2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazol-5-yl]methyl]thiophene-2-carboxamide
CID 175885019
4-[4-[(3-amino-2-hydroxypropyl)amino]phenyl]morpholin-3-one;hydrochloride
CID 70873276
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
CID 123589878
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[[(2S)-4-(4-aminophenyl)-2-hydroxy-4,4-diphenylbutyl]amino]phenyl]morpholin-3-one
CID 123546223
4-[4-[(2-hydroxy-3-phenylmethoxypropyl)amino]phenyl]morpholin-3-one
CID 123840212
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
bis[(2R)-1-chloro-3-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl] sulfate
CID 118377688
(5-chlorothiophen-2-yl) N-[(2R)-3-[2-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]carbamate
CID 68745684
3,5-dichloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 155905787
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide (CID 90258799) is 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide is NC(=O)c1sc(Cl)cc1CC(O)CNc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide?
The InChIKey is XVBMBLXHPIDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c19-15-8-11(17(27-15)18(20)25)7-14(23)9-21-12-1-3-13(4-2-12)22-5-6-26-10-16(22)24/h1-4,8,14,21,23H,5-7,9-10H2,(H2,20,25).
What are the key properties of 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide?
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 1.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 90258799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).