N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide

C23H31N3O4S2 — CID 46796637

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C23H31N3O4S2/c1-4-25(5-2)22-12-11-20(32(28,29)26-13-15-30-16-14-26)17-21(22)24-23(27)18(3)31-19-9-7-6-8-10-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,24,27)
InChIKeyARLPTLFEKDKEQH-UHFFFAOYSA-N
MW477.65 g/mol
LogP3.67
Rot. Bonds9

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide (PubChem CID 46796637) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
PubChem CID46796637
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccccc1
InChIInChI=1S/C23H31N3O4S2/c1-4-25(5-2)22-12-11-20(32(28,29)26-13-15-30-16-14-26)17-21(22)24-23(27)18(3)31-19-9-7-6-8-10-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,24,27)
InChIKeyARLPTLFEKDKEQH-UHFFFAOYSA-N
XLogP3.67
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
2-(2-cyanophenoxy)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]propanamide
CID 55597453
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013571
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
2-(4-chlorophenyl)sulfanyl-N-(5-morpholin-4-ylsulfonyl-2-propan-2-yloxyphenyl)propanamide
CID 24555330
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
CID 55476539

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide (CID 46796637) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(C)Sc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide?
The InChIKey is ARLPTLFEKDKEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-4-25(5-2)22-12-11-20(32(28,29)26-13-15-30-16-14-26)17-21(22)24-23(27)18(3)31-19-9-7-6-8-10-19/h6-12,17-18H,4-5,13-16H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide has a molecular weight of 477.65 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 46796637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).