N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide

C18H28N2O2S — CID 51163428

IUPACN-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-4-6-16(7-5-15)23-13-8-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-7H,8-14H2,1-3H3,(H,19,21)
InChIKeyFTTBKMIFDQERAV-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.70
Rot. Bonds7

About N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide

N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide (PubChem CID 51163428) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
PubChem CID51163428
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SCCC(=O)NCC(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-4-6-16(7-5-15)23-13-8-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-7H,8-14H2,1-3H3,(H,19,21)
InChIKeyFTTBKMIFDQERAV-UHFFFAOYSA-N
XLogP2.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-morpholin-4-ylpropyl)-2-(4-phenylphenyl)sulfanylacetamide
CID 60519343
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
N-(2-methyl-2-morpholin-4-ylpropyl)-2-(2-methylphenyl)sulfanylacetamide
CID 51163397
N-ethyl-3-(4-methylphenyl)sulfanylpropanamide
CID 962016
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
1-[2-(4-fluorophenyl)sulfanylethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111567419
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
4-(4-methylphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxobutanamide
CID 51164342

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide (CID 51163428) is N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SCCC(=O)NCC(C)(C)N2CCOCC2)cc1.
What is the InChIKey of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is FTTBKMIFDQERAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-4-6-16(7-5-15)23-13-8-17(21)19-14-18(2,3)20-9-11-22-12-10-20/h4-7H,8-14H2,1-3H3,(H,19,21).
What are the key properties of N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide?
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 336.50 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 51163428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).