2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C22H28N2O2S — CID 133206073

IUPAC2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-17-3-9-21(10-4-17)27-18(2)22(25)23-15-19-5-7-20(8-6-19)16-24-11-13-26-14-12-24/h3-10,18H,11-16H2,1-2H3,(H,23,25)
InChIKeyRQQWOQVLBBQJGT-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.62
Rot. Bonds7

About 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 133206073) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID133206073
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESCc1ccc(SC(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2S/c1-17-3-9-21(10-4-17)27-18(2)22(25)23-15-19-5-7-20(8-6-19)16-24-11-13-26-14-12-24/h3-10,18H,11-16H2,1-2H3,(H,23,25)
InChIKeyRQQWOQVLBBQJGT-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)sulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190400
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
2-benzylsulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 86918572
(2S)-2-(4-methylphenyl)sulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 92804145
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 9305174
(2R)-2-(4-methoxyphenyl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 9063465
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 99951185
2-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 51327676
N-[(4-aminooxan-4-yl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 154576836
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
N,N-dimethyl-5-[[2-(4-methylphenyl)sulfanylpropanoylamino]methyl]furan-2-carboxamide
CID 131938378
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 133206073) is 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is Cc1ccc(SC(C)C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is RQQWOQVLBBQJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-17-3-9-21(10-4-17)27-18(2)22(25)23-15-19-5-7-20(8-6-19)16-24-11-13-26-14-12-24/h3-10,18H,11-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 384.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 133206073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).