N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide

C21H24N2O4S — CID 4240193

IUPACN-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O4S/c1-16(24)22-20(21(25)23-11-13-26-14-12-23)15-28-19-9-7-18(8-10-19)27-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,22,24)
InChIKeyDNKRMKAFDSDYLD-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.93
Rot. Bonds7

About N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide

N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide (PubChem CID 4240193) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
PubChem CID4240193
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C21H24N2O4S/c1-16(24)22-20(21(25)23-11-13-26-14-12-23)15-28-19-9-7-18(8-10-19)27-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,22,24)
InChIKeyDNKRMKAFDSDYLD-UHFFFAOYSA-N
XLogP2.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
N-[1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 3318101
N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4286432
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959
N-[3-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide
CID 3388136
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]acetamide
CID 3980341
1-(3-methoxy-1-morpholin-4-yl-1-oxopropan-2-yl)-3-(2-methyl-4-phenoxyphenyl)urea
CID 146147610
methyl (2R)-2-acetamido-3-phenylsulfanylpropanoate
CID 2723737
N-[3-(3-bromophenyl)sulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 5180125
N-[1-oxo-1-(4-phenylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-yl]acetamide
CID 4222798

Frequently Asked Questions

What is the IUPAC name of N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide (CID 4240193) is N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(Oc2ccccc2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide?
The InChIKey is DNKRMKAFDSDYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-16(24)22-20(21(25)23-11-13-26-14-12-23)15-28-19-9-7-18(8-10-19)27-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,22,24).
What are the key properties of N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide?
N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 4240193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).