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

C17H25N3O2S — CID 119936161

IUPACN-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C17H25N3O2S/c1-17(2,3)20-16(22)13-6-4-5-7-14(13)19-15(21)10-12-11-23-9-8-18-12/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZVGAECZEVPEZCL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.25
Rot. Bonds4

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

N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (PubChem CID 119936161) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
PubChem CID119936161
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CC1CSCCN1
InChIInChI=1S/C17H25N3O2S/c1-17(2,3)20-16(22)13-6-4-5-7-14(13)19-15(21)10-12-11-23-9-8-18-12/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZVGAECZEVPEZCL-UHFFFAOYSA-N
XLogP2.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042
N-[2-[(dimethylamino)methyl]phenyl]-2-thiomorpholin-3-ylacetamide
CID 66420040
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
N-(pyridin-3-ylmethyl)-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;dihydrochloride
CID 119941733
2-thiomorpholin-3-yl-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide;hydrochloride
CID 119936148
N-[2-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119937230
N-[2-methyl-3-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936226
N-(2-pyrrolidin-1-ylphenyl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119934863
N-(2-pyrazol-1-ylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420642
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-[2-(tert-butylamino)-2-oxoethyl]-2-thiomorpholin-3-ylacetamide
CID 66423008
2-phenyl-2-[(2-thiomorpholin-3-ylacetyl)amino]propanamide
CID 119938213

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The IUPAC name of N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (CID 119936161) is N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The canonical SMILES for N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The InChIKey is ZVGAECZEVPEZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-17(2,3)20-16(22)13-6-4-5-7-14(13)19-15(21)10-12-11-23-9-8-18-12/h4-7,12,18H,8-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide has a molecular weight of 335.47 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 119936161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).