2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

C20H21ClN2O3S — CID 11948783

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O3S/c1-14(27-16-8-6-15(21)7-9-16)19(24)22-18-5-3-2-4-17(18)20(25)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyTXMORGHNIKZABR-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.93
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide

2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (PubChem CID 11948783) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
PubChem CID11948783
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
SMILESCC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1
InChIInChI=1S/C20H21ClN2O3S/c1-14(27-16-8-6-15(21)7-9-16)19(24)22-18-5-3-2-4-17(18)20(25)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24)
InChIKeyTXMORGHNIKZABR-UHFFFAOYSA-N
XLogP3.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376562
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-5-(morpholin-4-ylmethyl)thiophene-2-carboxamide
CID 18376625
N-(2-methoxyethyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 2209610
N-{2-[4-(3-Oxomorpholin-4-yl)benzoylamino]benzyl}-5-chlorothiophene-2-carboxamide
CID 25051600
2-[(4-chlorobenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 2803203
2-[(4-chlorophenyl)sulfanyl]-N-{4-[4-(2-methylbenzoyl)-1-piperazinyl]phenyl}acetamide
CID 979489
3-[(4-methylphenyl)sulfanyl]-N-[2-(4-morpholinylcarbonyl)phenyl]propanamide
CID 989330
2-(4-methylphenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989339
3-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(2-methylpropyl)benzamide
CID 2194290
N-(2-{[(2-methoxyethyl)amino]carbonyl}phenyl)-2-(methylthio)benzamide
CID 2229916
2-chloro-5-methylsulfanyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 2460714
N-[2-(morpholine-4-carbonyl)phenyl]-2-phenylsulfanylpropanamide
CID 2954597

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide (CID 11948783) is 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
The InChIKey is TXMORGHNIKZABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-14(27-16-8-6-15(21)7-9-16)19(24)22-18-5-3-2-4-17(18)20(25)23-10-12-26-13-11-23/h2-9,14H,10-13H2,1H3,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide has a molecular weight of 404.92 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)phenyl]propanamide is sourced from PubChem (CID 11948783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).