5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide

C15H22ClN3OS — CID 103529940

IUPAC5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C15H22ClN3OS/c1-2-17-14-4-3-12(16)11-13(14)15(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20)
InChIKeyINLFVVRIWDQNCQ-UHFFFAOYSA-N
MW327.88 g/mol
LogP2.55
Rot. Bonds6

About 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide

5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide (PubChem CID 103529940) has the molecular formula C15H22ClN3OS and a molecular weight of 327.88 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
PubChem CID103529940
Molecular FormulaC15H22ClN3OS
Molecular Weight327.88 g/mol
Exact Mass327.12
IUPAC Name5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCN1CCSCC1
InChIInChI=1S/C15H22ClN3OS/c1-2-17-14-4-3-12(16)11-13(14)15(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20)
InChIKeyINLFVVRIWDQNCQ-UHFFFAOYSA-N
XLogP2.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327044
[5-chloro-2-(ethylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165244
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119
5-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-2-carboxamide
CID 106327192
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-6-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)pyridine-3-carboxamide
CID 106327037
4-amino-2-chloro-N-(2-thiomorpholin-4-ylethyl)benzamide;dihydrochloride
CID 119853632
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
2-(2-thiomorpholin-4-ylethylcarbamoyl)benzoic acid
CID 106305212
2-bromo-5-methyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 113259150

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide (CID 103529940) is 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide is CCNc1ccc(Cl)cc1C(=O)NCCN1CCSCC1.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide?
The InChIKey is INLFVVRIWDQNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3OS/c1-2-17-14-4-3-12(16)11-13(14)15(20)18-5-6-19-7-9-21-10-8-19/h3-4,11,17H,2,5-10H2,1H3,(H,18,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide?
5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide has a molecular weight of 327.88 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(2-thiomorpholin-4-ylethyl)benzamide is sourced from PubChem (CID 103529940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).