2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C19H22N2O4S2 — CID 1137830

IUPAC2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-19(15-26-14-16-4-2-1-3-5-16)20-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h1-9H,10-15H2,(H,20,22)
InChIKeyFYVVOTOBEZRWRG-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.58
Rot. Bonds7

About 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 1137830) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID1137830
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC Name2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C19H22N2O4S2/c22-19(15-26-14-16-4-2-1-3-5-16)20-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h1-9H,10-15H2,(H,20,22)
InChIKeyFYVVOTOBEZRWRG-UHFFFAOYSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Morpholinosulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24894571
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
1-(4-(3-Morpholinopropylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 46889204
(E)-N-(5-fluoro-2-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2485069
(E)-N-(3-acetamidophenyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2489006
N-(3-morpholin-4-ylsulfonylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3365377
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
2-(4-methylphenyl)sulfanyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4789030
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102
N-(4-(4-Morpholinylsulfonyl)phenyl)acetamide
CID 88976

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 1137830) is 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is FYVVOTOBEZRWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c22-19(15-26-14-16-4-2-1-3-5-16)20-17-6-8-18(9-7-17)27(23,24)21-10-12-25-13-11-21/h1-9H,10-15H2,(H,20,22).
What are the key properties of 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 1137830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).