2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

C17H18Cl2N2O2S — CID 87018501

IUPAC2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESO=C(CN1CCOC(c2ccc(Cl)cc2)C1)NCc1ccc(Cl)s1
InChIInChI=1S/C17H18Cl2N2O2S/c18-13-3-1-12(2-4-13)15-10-21(7-8-23-15)11-17(22)20-9-14-5-6-16(19)24-14/h1-6,15H,7-11H2,(H,20,22)
InChIKeyFNSCONYMFHFSNM-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (PubChem CID 87018501) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
PubChem CID87018501
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
SMILESO=C(CN1CCOC(c2ccc(Cl)cc2)C1)NCc1ccc(Cl)s1
InChIInChI=1S/C17H18Cl2N2O2S/c18-13-3-1-12(2-4-13)15-10-21(7-8-23-15)11-17(22)20-9-14-5-6-16(19)24-14/h1-6,15H,7-11H2,(H,20,22)
InChIKeyFNSCONYMFHFSNM-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267
1-[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 56815752
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(3-fluorophenyl)acetamide
CID 60504856
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 55827797
N-[(5-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 86775067
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 95175805
2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide (CID 87018501) is 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is O=C(CN1CCOC(c2ccc(Cl)cc2)C1)NCc1ccc(Cl)s1.
What is the InChIKey of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
The InChIKey is FNSCONYMFHFSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-13-3-1-12(2-4-13)15-10-21(7-8-23-15)11-17(22)20-9-14-5-6-16(19)24-14/h1-6,15H,7-11H2,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide?
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide has a molecular weight of 385.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 87018501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).