4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

C24H24N2O4S2 — CID 100678383

IUPAC4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O4S2/c27-24(20-8-12-23(13-9-20)32(28,29)26-14-16-30-17-15-26)25-21-10-6-19(7-11-21)18-31-22-4-2-1-3-5-22/h1-13H,14-18H2,(H,25,27)
InChIKeyMZWFENSJJLQCKB-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.25
Rot. Bonds7

About 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 100678383) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID100678383
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC Name4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C24H24N2O4S2/c27-24(20-8-12-23(13-9-20)32(28,29)26-14-16-30-17-15-26)25-21-10-6-19(7-11-21)18-31-22-4-2-1-3-5-22/h1-13H,14-18H2,(H,25,27)
InChIKeyMZWFENSJJLQCKB-UHFFFAOYSA-N
XLogP4.25
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126356549
N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-4-morpholin-4-ylsulfonylbenzamide
CID 146084787
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
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N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
4-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 17391128
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
4-morpholin-4-ylsulfonyl-N-(4-nitrophenyl)benzamide
CID 4282639
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (CID 100678383) is 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is MZWFENSJJLQCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c27-24(20-8-12-23(13-9-20)32(28,29)26-14-16-30-17-15-26)25-21-10-6-19(7-11-21)18-31-22-4-2-1-3-5-22/h1-13H,14-18H2,(H,25,27).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 468.60 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 100678383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).