2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide

C23H30N2O4S2 — CID 55679207

IUPAC2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O4S2/c1-30-17-12-21(25-31(27,28)20-10-6-3-7-11-20)22(26)24-18-23(13-15-29-16-14-23)19-8-4-2-5-9-19/h2-11,21,25H,12-18H2,1H3,(H,24,26)
InChIKeyLUEMWIVHGLQYHM-UHFFFAOYSA-N
MW462.64 g/mol
LogP2.95
Rot. Bonds10

About 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide

2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 55679207) has the molecular formula C23H30N2O4S2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID55679207
Molecular FormulaC23H30N2O4S2
Molecular Weight462.64 g/mol
Exact Mass462.16
IUPAC Name2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H30N2O4S2/c1-30-17-12-21(25-31(27,28)20-10-6-3-7-11-20)22(26)24-18-23(13-15-29-16-14-23)19-8-4-2-5-9-19/h2-11,21,25H,12-18H2,1H3,(H,24,26)
InChIKeyLUEMWIVHGLQYHM-UHFFFAOYSA-N
XLogP2.95
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 55574026
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
CID 55331547
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
2-(benzenesulfonamido)-N-[2-(2-methoxyphenoxy)ethyl]-4-methylsulfanylbutanamide
CID 55343823
3-methyl-N-[4-methylsulfanyl-1-oxo-1-[(1-phenylcyclopropyl)methylamino]butan-2-yl]benzamide
CID 55493157
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
N-[2-[[2-(benzenesulfonamido)-4-methylsulfanylbutanoyl]amino]ethyl]-4-methoxybenzamide
CID 55960223
N-[1-(1-adamantyl)ethyl]-2-(benzenesulfonamido)-4-methylsulfanylbutanamide
CID 112789579

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 55679207) is 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is LUEMWIVHGLQYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S2/c1-30-17-12-21(25-31(27,28)20-10-6-3-7-11-20)22(26)24-18-23(13-15-29-16-14-23)19-8-4-2-5-9-19/h2-11,21,25H,12-18H2,1H3,(H,24,26).
What are the key properties of 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide?
2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 462.64 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 55679207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).