4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride

C15H21Cl2N3O2S — CID 119936426

IUPAC4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H20ClN3O2S.ClH/c1-2-17-15(21)12-4-3-10(16)7-13(12)19-14(20)8-11-9-22-6-5-18-11;/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,17,21)(H,19,20);1H
InChIKeyLBFSJBLXPMBZCF-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.55
Rot. Bonds5

About 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride

4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119936426) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119936426
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC Name4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride
SMILESCCNC(=O)c1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl
InChIInChI=1S/C15H20ClN3O2S.ClH/c1-2-17-15(21)12-4-3-10(16)7-13(12)19-14(20)8-11-9-22-6-5-18-11;/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,17,21)(H,19,20);1H
InChIKeyLBFSJBLXPMBZCF-UHFFFAOYSA-N
XLogP2.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-ethylsulfanylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938825
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
5-chloro-N-ethyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119770135
N-ethyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66421428
4-chloro-N-methyl-3-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 66420250
4,5-difluoro-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66421304
N-(2-acetamido-5-bromophenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938069
3-chloro-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 66420522
(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621169
N-tert-butyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide
CID 119936161
N-[2-(4-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66423074
N-[2-(dimethylamino)phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941042

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride (CID 119936426) is 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride is CCNC(=O)c1ccc(Cl)cc1NC(=O)CC1CSCCN1.Cl.
What is the InChIKey of 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is LBFSJBLXPMBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S.ClH/c1-2-17-15(21)12-4-3-10(16)7-13(12)19-14(20)8-11-9-22-6-5-18-11;/h3-4,7,11,18H,2,5-6,8-9H2,1H3,(H,17,21)(H,19,20);1H.
What are the key properties of 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride?
4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 378.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-2-[(2-thiomorpholin-3-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119936426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).