3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

C21H25ClN2O2S — CID 9481313

IUPAC3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C21H25ClN2O2S/c22-19-5-7-20(8-6-19)27-14-9-21(25)23-15-17-3-1-2-4-18(17)16-24-10-12-26-13-11-24/h1-8H,9-16H2,(H,23,25)
InChIKeyWAWSXCHRMLYUFO-UHFFFAOYSA-N
MW404.96 g/mol
LogP3.97
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (PubChem CID 9481313) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
PubChem CID9481313
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCOCC1
InChIInChI=1S/C21H25ClN2O2S/c22-19-5-7-20(8-6-19)27-14-9-21(25)23-15-17-3-1-2-4-18(17)16-24-10-12-26-13-11-24/h1-8H,9-16H2,(H,23,25)
InChIKeyWAWSXCHRMLYUFO-UHFFFAOYSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-phenylsulfanylpropanamide
CID 9481241
3-(3,4-dimethylphenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481393
4-chloro-N-[3-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 9481353
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
1-[(4-chlorophenyl)methyl]-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 36874306
2-(2-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 51207846
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylpropanamide
CID 53278818
1-[(1R)-1-(4-chlorophenyl)ethyl]-1-methyl-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 51935301
(2S)-2-(4-chlorophenoxy)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 27887220
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9481617

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide (CID 9481313) is 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCOCC1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is WAWSXCHRMLYUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c22-19-5-7-20(8-6-19)27-14-9-21(25)23-15-17-3-1-2-4-18(17)16-24-10-12-26-13-11-24/h1-8H,9-16H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 404.96 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 9481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).