3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide

C17H18Cl2N2O2S — CID 16931704

IUPAC3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-2-1-12(9-15(14)19)17(22)20-10-16(13-3-8-24-11-13)21-4-6-23-7-5-21/h1-3,8-9,11,16H,4-7,10H2,(H,20,22)
InChIKeyXDOAUJBKJBKGQM-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.86
Rot. Bonds5

About 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide

3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide (PubChem CID 16931704) has the molecular formula C17H18Cl2N2O2S and a molecular weight of 385.32 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
PubChem CID16931704
Molecular FormulaC17H18Cl2N2O2S
Molecular Weight385.32 g/mol
Exact Mass384.05
IUPAC Name3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
SMILESO=C(NCC(c1ccsc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H18Cl2N2O2S/c18-14-2-1-12(9-15(14)19)17(22)20-10-16(13-3-8-24-11-13)21-4-6-23-7-5-21/h1-3,8-9,11,16H,4-7,10H2,(H,20,22)
InChIKeyXDOAUJBKJBKGQM-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dichloro-N-[(2S)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847530
3,4-dichloro-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847528
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30604890
3,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931647
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-chlorobenzamide
CID 16931789
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)cyclopropanecarboxamide
CID 16931690

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide (CID 16931704) is 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide is O=C(NCC(c1ccsc1)N1CCOCC1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
The InChIKey is XDOAUJBKJBKGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2S/c18-14-2-1-12(9-15(14)19)17(22)20-10-16(13-3-8-24-11-13)21-4-6-23-7-5-21/h1-3,8-9,11,16H,4-7,10H2,(H,20,22).
What are the key properties of 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide?
3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide has a molecular weight of 385.32 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 16931704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).