N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide

C23H30ClN3O2S — CID 47011219

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H30ClN3O2S/c1-18-2-4-19(5-3-18)22(17-27-11-13-29-14-12-27)26-16-23(28)25-10-15-30-21-8-6-20(24)7-9-21/h2-9,22,26H,10-17H2,1H3,(H,25,28)
InChIKeyFPULPKBIZYTKSQ-UHFFFAOYSA-N
MW448.03 g/mol
LogP3.52
Rot. Bonds10

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide (PubChem CID 47011219) has the molecular formula C23H30ClN3O2S and a molecular weight of 448.03 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide
PubChem CID47011219
Molecular FormulaC23H30ClN3O2S
Molecular Weight448.03 g/mol
Exact Mass447.17
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide
SMILESCc1ccc(C(CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H30ClN3O2S/c1-18-2-4-19(5-3-18)22(17-27-11-13-29-14-12-27)26-16-23(28)25-10-15-30-21-8-6-20(24)7-9-21/h2-9,22,26H,10-17H2,1H3,(H,25,28)
InChIKeyFPULPKBIZYTKSQ-UHFFFAOYSA-N
XLogP3.52
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.03
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-N-(2-phenylethyl)acetamide
CID 39991780
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24560111
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
1-[2-(4-chlorophenyl)sulfanylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111372109
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144310
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
3-amino-N-[2-(4-chlorophenyl)sulfanylethyl]butanamide
CID 119691377
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[(2-morpholin-4-yl-1-phenylethyl)amino]acetamide
CID 112797261
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
2-(2-chlorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 7604280
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
2-(4-chlorophenyl)-4-methyl-3-(4-methylphenyl)-1-morpholin-4-ylpentan-3-ol;hydrochloride
CID 146052076

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide (CID 47011219) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide is Cc1ccc(C(CN2CCOCC2)NCC(=O)NCCSc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide?
The InChIKey is FPULPKBIZYTKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O2S/c1-18-2-4-19(5-3-18)22(17-27-11-13-29-14-12-27)26-16-23(28)25-10-15-30-21-8-6-20(24)7-9-21/h2-9,22,26H,10-17H2,1H3,(H,25,28).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide has a molecular weight of 448.03 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]acetamide is sourced from PubChem (CID 47011219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).