4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

C14H18ClN3O2S — CID 66420250

IUPAC4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C14H18ClN3O2S/c1-16-14(20)9-2-3-11(15)12(6-9)18-13(19)7-10-8-21-5-4-17-10/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyHWSOJJKZNPCWRN-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.73
Rot. Bonds4

About 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide

4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (PubChem CID 66420250) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
PubChem CID66420250
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(=O)CC2CSCCN2)c1
InChIInChI=1S/C14H18ClN3O2S/c1-16-14(20)9-2-3-11(15)12(6-9)18-13(19)7-10-8-21-5-4-17-10/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyHWSOJJKZNPCWRN-UHFFFAOYSA-N
XLogP1.73
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
CID 119936426
N-(4-chloro-3-cyanophenyl)-2-thiomorpholin-3-ylacetamide
CID 66420640
N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
2-chloro-N-cyclopropyl-5-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936388
ethyl 4-(ethylamino)-3-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119934972
N-(3,5-dimethylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935026
2-thiomorpholin-3-yl-N-(3,4,5-trifluorophenyl)acetamide
CID 66420511
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The IUPAC name of 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide (CID 66420250) is 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide.
What is the SMILES notation for 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The canonical SMILES for 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is CNC(=O)c1ccc(Cl)c(NC(=O)CC2CSCCN2)c1.
What is the InChIKey of 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
The InChIKey is HWSOJJKZNPCWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2S/c1-16-14(20)9-2-3-11(15)12(6-9)18-13(19)7-10-8-21-5-4-17-10/h2-3,6,10,17H,4-5,7-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide?
4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide has a molecular weight of 327.84 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide is sourced from PubChem (CID 66420250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).