2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

C21H27N2O3S+ — CID 9150013

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-25-18-7-9-19(10-8-18)27-16-21(24)22-20(17-5-3-2-4-6-17)15-23-11-13-26-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1/t20-/m0/s1
InChIKeyZHRQHAOKRJTIRL-FQEVSTJZSA-O
MW387.53 g/mol
LogP1.56
Rot. Bonds8

About 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (PubChem CID 9150013) has the molecular formula C21H27N2O3S+ and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
PubChem CID9150013
Molecular FormulaC21H27N2O3S+
Molecular Weight387.53 g/mol
Exact Mass387.17
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
SMILESCOc1ccc(SCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-25-18-7-9-19(10-8-18)27-16-21(24)22-20(17-5-3-2-4-6-17)15-23-11-13-26-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1/t20-/m0/s1
InChIKeyZHRQHAOKRJTIRL-FQEVSTJZSA-O
XLogP1.56
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]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

4-methoxy-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148385
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908519
2-(4-methoxyphenyl)sulfanyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]acetamide
CID 8908520
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylsulfanylacetamide
CID 28958195
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149455
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144752
2-(4-acetamidophenyl)sulfanyl-N-[(S)-(4-methoxyphenyl)-phenylmethyl]acetamide
CID 8565521
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149901
tert-butyl 4-[[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 9150003

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide (CID 9150013) is 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is COc1ccc(SCC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
The InChIKey is ZHRQHAOKRJTIRL-FQEVSTJZSA-O. The full InChI is InChI=1S/C21H26N2O3S/c1-25-18-7-9-19(10-8-18)27-16-21(24)22-20(17-5-3-2-4-6-17)15-23-11-13-26-14-12-23/h2-10,20H,11-16H2,1H3,(H,22,24)/p+1/t20-/m0/s1.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide has a molecular weight of 387.53 g/mol, XLogP of 1.56, 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-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide is sourced from PubChem (CID 9150013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).