N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide

C22H22N2O2S — CID 141124736

IUPACN-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
SMILESO=C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C22H22N2O2S/c25-22(19-6-8-20(9-7-19)23-11-13-26-14-12-23)24(21-10-15-27-17-21)16-18-4-2-1-3-5-18/h1-10,15,17H,11-14,16H2
InChIKeyKWXUKFYAFBVFFZ-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.43
Rot. Bonds5

About N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide

N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide (PubChem CID 141124736) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
PubChem CID141124736
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide
SMILESO=C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)c1ccsc1
InChIInChI=1S/C22H22N2O2S/c25-22(19-6-8-20(9-7-19)23-11-13-26-14-12-23)24(21-10-15-27-17-21)16-18-4-2-1-3-5-18/h1-10,15,17H,11-14,16H2
InChIKeyKWXUKFYAFBVFFZ-UHFFFAOYSA-N
XLogP4.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
2-[(4-morpholin-4-ylbenzoyl)-(2-phenylethyl)amino]acetic acid
CID 119347604
4-(4-methylpiperazin-1-yl)-N-phenyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 167931324
[benzyl(dimethyl)stannyl]-(4-morpholin-4-ylphenyl)methanone
CID 174435606
N-benzyl-N-hydroxy-4-morpholin-4-ylpyridine-2-carboxamide
CID 86681827
1-(4-morpholin-4-ylphenyl)-2-[4-[4-(2-oxo-2-thiophen-3-ylethyl)benzoyl]phenyl]ethanone
CID 149139518
N-benzyl-N-[4-(4-methylpiperazin-1-yl)phenyl]thiophene-2-carboxamide
CID 155102286
4-[4-[2-(N-benzylanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680479
N-[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 24516673
N-benzyl-3-morpholin-4-ylsulfonyl-N-phenylbenzamide
CID 26731438
N-[(2R)-2-hydroxy-3-phenylpropyl]-4-morpholin-4-ylbenzamide
CID 95327413
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide?
The IUPAC name of N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide (CID 141124736) is N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide.
What is the SMILES notation for N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide?
The canonical SMILES for N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide is O=C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)c1ccsc1.
What is the InChIKey of N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide?
The InChIKey is KWXUKFYAFBVFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-22(19-6-8-20(9-7-19)23-11-13-26-14-12-23)24(21-10-15-27-17-21)16-18-4-2-1-3-5-18/h1-10,15,17H,11-14,16H2.
What are the key properties of N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide?
N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide has a molecular weight of 378.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-morpholin-4-yl-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 141124736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).