2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide

C19H29ClN2O2S — CID 42943243

IUPAC2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
SMILESCCC(CC)C(CNC(=O)c1cc(SC)ccc1Cl)N1CCOCC1
InChIInChI=1S/C19H29ClN2O2S/c1-4-14(5-2)18(22-8-10-24-11-9-22)13-21-19(23)16-12-15(25-3)6-7-17(16)20/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyNTLDQBPKDMCDEQ-UHFFFAOYSA-N
MW384.97 g/mol
LogP3.93
Rot. Bonds8

About 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide

2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide (PubChem CID 42943243) has the molecular formula C19H29ClN2O2S and a molecular weight of 384.97 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
PubChem CID42943243
Molecular FormulaC19H29ClN2O2S
Molecular Weight384.97 g/mol
Exact Mass384.16
IUPAC Name2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide
SMILESCCC(CC)C(CNC(=O)c1cc(SC)ccc1Cl)N1CCOCC1
InChIInChI=1S/C19H29ClN2O2S/c1-4-14(5-2)18(22-8-10-24-11-9-22)13-21-19(23)16-12-15(25-3)6-7-17(16)20/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3,(H,21,23)
InChIKeyNTLDQBPKDMCDEQ-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.97
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 43046378
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)quinoline-6-carboxamide
CID 55731335
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
3-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-1-methylindole-2-carboxamide
CID 55665915
3-chloro-N-[2-[(3-ethyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55550745
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
N-(3-ethyl-2-morpholin-4-ylpentyl)-3-(methylsulfinylmethyl)benzamide
CID 134053135
1-benzyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrole-2-carboxamide
CID 55585125

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide (CID 42943243) is 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide is CCC(CC)C(CNC(=O)c1cc(SC)ccc1Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide?
The InChIKey is NTLDQBPKDMCDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2S/c1-4-14(5-2)18(22-8-10-24-11-9-22)13-21-19(23)16-12-15(25-3)6-7-17(16)20/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide?
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide has a molecular weight of 384.97 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methylsulfanylbenzamide is sourced from PubChem (CID 42943243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).