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

C19H22ClN3O4S — CID 123589878

IUPAC5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCC(O)CNc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H22ClN3O4S/c20-17-6-5-16(28-17)19(26)21-8-7-15(24)11-22-13-1-3-14(4-2-13)23-9-10-27-12-18(23)25/h1-6,15,22,24H,7-12H2,(H,21,26)
InChIKeyJNAFWZOLBIGOCD-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.36
Rot. Bonds8

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

5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide (PubChem CID 123589878) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
PubChem CID123589878
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide
SMILESO=C(NCCC(O)CNc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1
InChIInChI=1S/C19H22ClN3O4S/c20-17-6-5-16(28-17)19(26)21-8-7-15(24)11-22-13-1-3-14(4-2-13)23-9-10-27-12-18(23)25/h1-6,15,22,24H,7-12H2,(H,21,26)
InChIKeyJNAFWZOLBIGOCD-UHFFFAOYSA-N
XLogP2.36
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[(2S)-3-chloro-2-[hydroxy-[4-(3-oxomorpholin-4-yl)anilino]methoxy]propyl]thiophene-2-carboxamide
CID 118067168
N-[3-[3-amino-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]-5-chlorothiophene-2-carboxamide
CID 21070772
5-chloro-N-[3-[3-fluoro-4-(3-oxomorpholin-4-yl)anilino]-2-hydroxypropyl]thiophene-2-carboxamide
CID 21070710
N-[(2R)-2-acetamido-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]-5-chlorothiophene-2-carboxamide
CID 90883840
5-chloro-N-[2-hydroxy-3-[N-nitroso-4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 171395174
[(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-hydroxy-3-[4-(2-oxoimidazolidin-1-yl)anilino]propyl]thiophene-2-carboxamide
CID 58834683
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043
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
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
5-chloro-3-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90258799
5-chloro-N-[(2R)-2-(cyclobutylmethylamino)-3-oxo-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]thiophene-2-carboxamide
CID 90719385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide (CID 123589878) is 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide is O=C(NCCC(O)CNc1ccc(N2CCOCC2=O)cc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide?
The InChIKey is JNAFWZOLBIGOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c20-17-6-5-16(28-17)19(26)21-8-7-15(24)11-22-13-1-3-14(4-2-13)23-9-10-27-12-18(23)25/h1-6,15,22,24H,7-12H2,(H,21,26).
What are the key properties of 5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide?
5-chloro-N-[3-hydroxy-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide has a molecular weight of 423.92 g/mol, XLogP of 2.36, 8 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-4-[4-(3-oxomorpholin-4-yl)anilino]butyl]thiophene-2-carboxamide is sourced from PubChem (CID 123589878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).