2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

C22H29N2O3S+ — CID 8908519

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/p+1/t17-,22+/m0/s1
InChIKeyJYWUDZJJZRFYAT-HTAPYJJXSA-O
MW401.55 g/mol
LogP1.95
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (PubChem CID 8908519) has the molecular formula C22H29N2O3S+ and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
PubChem CID8908519
Molecular FormulaC22H29N2O3S+
Molecular Weight401.55 g/mol
Exact Mass401.19
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1
InChIInChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/p+1/t17-,22+/m0/s1
InChIKeyJYWUDZJJZRFYAT-HTAPYJJXSA-O
XLogP1.95
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9150013
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
2-cyclopentyl-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 2510636
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-phenylurea
CID 2325919
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1R,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]azanium
CID 8637239
ethyl 1-[2-[[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8772993
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
4-chloro-N-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]benzamide
CID 2328030
1-(4-ethoxyphenyl)-3-[(1R,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]thiourea
CID 8656513
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 79246128

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide (CID 8908519) is 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is COc1ccc(SCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+]2CCOCC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
The InChIKey is JYWUDZJJZRFYAT-HTAPYJJXSA-O. The full InChI is InChI=1S/C22H28N2O3S/c1-17(23-21(25)16-28-20-10-8-19(26-2)9-11-20)22(18-6-4-3-5-7-18)24-12-14-27-15-13-24/h3-11,17,22H,12-16H2,1-2H3,(H,23,25)/p+1/t17-,22+/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide has a molecular weight of 401.55 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 8908519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).