N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

C15H21N3O2S — CID 66421428

IUPACN-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-16-15(20)11-4-3-5-12(8-11)18-14(19)9-13-10-21-7-6-17-13/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPMUFEJJPXDXYBK-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.47
Rot. Bonds5

About N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (PubChem CID 66421428) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
PubChem CID66421428
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCCNC(=O)c1cccc(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C15H21N3O2S/c1-2-16-15(20)11-4-3-5-12(8-11)18-14(19)9-13-10-21-7-6-17-13/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyPMUFEJJPXDXYBK-UHFFFAOYSA-N
XLogP1.47
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]propanamide
CID 66422073
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
N-(3-nitrophenyl)-2-thiomorpholin-3-ylacetamide
CID 66421212
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
N-[3-(methylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937072
N-[3-(2H-tetrazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422837
N-[3-(butan-2-ylsulfamoyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119940299
N-(2,6-diethylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66421005
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938232
2-thiomorpholin-3-yl-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 66420618
N-[3-(propan-2-yloxymethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937948
N-[3-(propan-2-ylsulfonylmethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939122

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The IUPAC name of N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (CID 66421428) is N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is CCNC(=O)c1cccc(NC(=O)CC2CSCCN2)c1.
What is the InChIKey of N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The InChIKey is PMUFEJJPXDXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-16-15(20)11-4-3-5-12(8-11)18-14(19)9-13-10-21-7-6-17-13/h3-5,8,13,17H,2,6-7,9-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide has a molecular weight of 307.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 66421428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).