3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide

C19H20ClN3O3S — CID 143838341

IUPAC3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCCO)sc(N3CCOCC3)c2C#N)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3S/c1-12-2-3-13(15(20)10-12)16-14(11-21)19(23-5-8-26-9-6-23)27-17(16)18(25)22-4-7-24/h2-3,10,24H,4-9H2,1H3,(H,22,25)
InChIKeyLWPROBVJZKQPBP-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide

3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide (PubChem CID 143838341) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
PubChem CID143838341
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
SMILESCc1ccc(-c2c(C(=O)NCCO)sc(N3CCOCC3)c2C#N)c(Cl)c1
InChIInChI=1S/C19H20ClN3O3S/c1-12-2-3-13(15(20)10-12)16-14(11-21)19(23-5-8-26-9-6-23)27-17(16)18(25)22-4-7-24/h2-3,10,24H,4-9H2,1H3,(H,22,25)
InChIKeyLWPROBVJZKQPBP-UHFFFAOYSA-N
XLogP2.81
TPSA85.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 89121331
CID 89121331
5-(2-bromoacetyl)-4-(2,4-dichlorophenyl)-2-morpholin-4-ylthiophene-3-carbonitrile
CID 86640157
1-[4-cyano-3-(2,4-dichlorophenyl)-5-morpholin-4-ylthiophen-2-yl]-1-(2-hydroxyethyl)urea
CID 68639607
4-(2,4-dichlorophenyl)-5-(2-hydroxyethylamino)-2-morpholin-4-ylthiophene-3-carbonitrile;N-methylformamide
CID 143838338
N-(2-aminoethyl)-3-(2,4-dichlorophenyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxamide
CID 59249988
3-(2,4-dichlorophenyl)-4-isocyano-N-(2-methoxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 58022909
4-cyano-3-(2,4-dichlorophenyl)-N'-methanimidoyl-5-morpholin-4-ylthiophene-2-carboximidamide;ethane;fluoromethane
CID 143914710
3-(2,4-dichlorophenyl)-N-(2-hydroxypropyl)-4-isocyano-5-morpholin-4-ylthiophene-2-carboxamide
CID 58022855
N-(2-aminoethyl)-4-cyano-3-(2,4-dichlorophenyl)-5-iodothiophene-2-carboxamide
CID 66855620
4-(5-chloro-2-methylphenyl)-5-formyl-2-morpholin-4-ylthiophene-3-carbonitrile
CID 143838353
N-[C-(2-aminoprop-1-enyl)-N-methylcarbonimidoyl]-4-cyano-3-(3,4-dichlorophenyl)-5-morpholin-4-ylthiophene-2-carboxamide
CID 143838312
ethyl 4-cyano-3-[4-(3,4-dichlorophenyl)but-3-enyl]-5-morpholin-4-ylthiophene-2-carboxylate
CID 66748288

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The IUPAC name of 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide (CID 143838341) is 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide is Cc1ccc(-c2c(C(=O)NCCO)sc(N3CCOCC3)c2C#N)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide?
The InChIKey is LWPROBVJZKQPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-12-2-3-13(15(20)10-12)16-14(11-21)19(23-5-8-26-9-6-23)27-17(16)18(25)22-4-7-24/h2-3,10,24H,4-9H2,1H3,(H,22,25).
What are the key properties of 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide?
3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide has a molecular weight of 405.91 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenyl)-4-cyano-N-(2-hydroxyethyl)-5-morpholin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 143838341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).