N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide

C15H15ClN2O2S — CID 952677

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccs1
InChIInChI=1S/C15H15ClN2O2S/c16-11-3-1-4-12(14(11)18-6-8-20-9-7-18)17-15(19)13-5-2-10-21-13/h1-5,10H,6-9H2,(H,17,19)
InChIKeyDXRQJFVKHOUVGC-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.49
Rot. Bonds3

About N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide (PubChem CID 952677) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
PubChem CID952677
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccs1
InChIInChI=1S/C15H15ClN2O2S/c16-11-3-1-4-12(14(11)18-6-8-20-9-7-18)17-15(19)13-5-2-10-21-13/h1-5,10H,6-9H2,(H,17,19)
InChIKeyDXRQJFVKHOUVGC-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
N-(3-chloro-4-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 806954
4-(Morpholine-4-sulfonyl)-thiophene-2-carboxylic acid (2-chloro-phenyl)-amide
CID 1312252
N-(4-amino-2-chlorophenyl)thiophene-2-carboxamide
CID 649944
N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 734614
N-(4-chlorophenyl)-4-(morpholin-4-ylsulfonyl)thiophene-2-carboxamide
CID 1117949
N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide
CID 1254644
N-(5-chloro-2-piperidinophenyl)-2-thiophenecarboxamide
CID 1489366
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]thiophene-2-carboxamide
CID 2194976
N-(5-chloro-2-piperidin-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 2438704
1-(2,5-Dichlorophenyl)-4-(thiophene-2-carbonyl)piperazine
CID 6487048
[4-(3-Chloro-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 755661

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide (CID 952677) is N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccs1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
The InChIKey is DXRQJFVKHOUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c16-11-3-1-4-12(14(11)18-6-8-20-9-7-18)17-15(19)13-5-2-10-21-13/h1-5,10H,6-9H2,(H,17,19).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 952677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).