2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide

C17H25ClN2O2S — CID 39483842

IUPAC2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C17H25ClN2O2S/c1-12(2)10-20-6-7-22-13(11-20)9-19-17(21)15-8-14(23-3)4-5-16(15)18/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyMGNZZGZKTLDKON-ZDUSSCGKSA-N
MW356.92 g/mol
LogP3.15
Rot. Bonds6

About 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide

2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide (PubChem CID 39483842) has the molecular formula C17H25ClN2O2S and a molecular weight of 356.92 g/mol. Its IUPAC name is 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
PubChem CID39483842
Molecular FormulaC17H25ClN2O2S
Molecular Weight356.92 g/mol
Exact Mass356.13
IUPAC Name2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
SMILESCSc1ccc(Cl)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1
InChIInChI=1S/C17H25ClN2O2S/c1-12(2)10-20-6-7-22-13(11-20)9-19-17(21)15-8-14(23-3)4-5-16(15)18/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21)/t13-/m0/s1
InChIKeyMGNZZGZKTLDKON-ZDUSSCGKSA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.92
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
CID 35365780
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642349
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
2-(3,4-difluorophenyl)sulfanyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 51216467
4-(2-chlorophenyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]piperazine-1-carboxamide
CID 52502865
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 30538422
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-2-carboxamide
CID 78822251
1-methyl-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]indole-3-carboxamide
CID 46576275
5-chloro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-1H-indole-2-carboxamide
CID 46576170
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]thiophene-2-carboxamide
CID 35362501

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide?
The IUPAC name of 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide (CID 39483842) is 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide.
What is the SMILES notation for 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide?
The canonical SMILES for 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide is CSc1ccc(Cl)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1.
What is the InChIKey of 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide?
The InChIKey is MGNZZGZKTLDKON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25ClN2O2S/c1-12(2)10-20-6-7-22-13(11-20)9-19-17(21)15-8-14(23-3)4-5-16(15)18/h4-5,8,12-13H,6-7,9-11H2,1-3H3,(H,19,21)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide?
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide has a molecular weight of 356.92 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide is sourced from PubChem (CID 39483842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).