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

C22H29N3O4S2 — CID 24980115

IUPACN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C22H29N3O4S2/c1-3-24(4-2)21-11-10-19(31(27,28)25-12-14-29-15-13-25)16-20(21)23-22(26)17-30-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,23,26)
InChIKeySQDOYRQUOBGHKW-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.28
Rot. Bonds9

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

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide (PubChem CID 24980115) has the molecular formula C22H29N3O4S2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide
PubChem CID24980115
Molecular FormulaC22H29N3O4S2
Molecular Weight463.63 g/mol
Exact Mass463.16
IUPAC NameN-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C22H29N3O4S2/c1-3-24(4-2)21-11-10-19(31(27,28)25-12-14-29-15-13-25)16-20(21)23-22(26)17-30-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,23,26)
InChIKeySQDOYRQUOBGHKW-UHFFFAOYSA-N
XLogP3.28
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2084437
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CID 2123914
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CID 3365377
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CID 3898052
CID 3898052
CID 4102643
CID 4102643
CID 4296426
CID 4296426
CID 5021320
CID 5021320
CID 5075583
CID 5075583
CID 135520961
CID 135520961
CID 24809976
CID 24809976
CID 24979096
CID 24979096

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide (CID 24980115) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide?
The InChIKey is SQDOYRQUOBGHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S2/c1-3-24(4-2)21-11-10-19(31(27,28)25-12-14-29-15-13-25)16-20(21)23-22(26)17-30-18-8-6-5-7-9-18/h5-11,16H,3-4,12-15,17H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide?
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylacetamide has a molecular weight of 463.63 g/mol, XLogP of 3.28, 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-phenylsulfanylacetamide is sourced from PubChem (CID 24980115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).