2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide

C23H29ClN2O4S — CID 24647045

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H29ClN2O4S/c1-16(31-19-7-5-18(24)6-8-19)23(27)25-15-20(26-10-12-30-13-11-26)17-4-9-21(28-2)22(14-17)29-3/h4-9,14,16,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyBFTUGJIXQOWQRI-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.03
Rot. Bonds9

About 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide (PubChem CID 24647045) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
PubChem CID24647045
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1OC
InChIInChI=1S/C23H29ClN2O4S/c1-16(31-19-7-5-18(24)6-8-19)23(27)25-15-20(26-10-12-30-13-11-26)17-4-9-21(28-2)22(14-17)29-3/h4-9,14,16,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyBFTUGJIXQOWQRI-UHFFFAOYSA-N
XLogP4.03
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 42910246
(2S)-2-(4-chlorophenyl)sulfanyl-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 27811203
4-chloro-N-[3-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-3-oxopropyl]benzamide
CID 43019504
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2,2,2-trifluoroacetamide
CID 52536756
(2S)-2-(4-tert-butylphenoxy)-N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 33262243
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 43019513
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51200983
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]pyridine-4-carboxamide
CID 46525244

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide (CID 24647045) is 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide is COc1ccc(C(CNC(=O)C(C)Sc2ccc(Cl)cc2)N2CCOCC2)cc1OC.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
The InChIKey is BFTUGJIXQOWQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-16(31-19-7-5-18(24)6-8-19)23(27)25-15-20(26-10-12-30-13-11-26)17-4-9-21(28-2)22(14-17)29-3/h4-9,14,16,20H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide has a molecular weight of 465.02 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]propanamide is sourced from PubChem (CID 24647045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).