2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide

C23H31N3O4S2 — CID 55574026

IUPAC2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H31N3O4S2/c1-31-17-12-21(25-32(28,29)20-10-6-3-7-11-20)23(27)24-18-22(19-8-4-2-5-9-19)26-13-15-30-16-14-26/h2-11,21-22,25H,12-18H2,1H3,(H,24,27)
InChIKeyJRHSNKWAUCCNQI-UHFFFAOYSA-N
MW477.65 g/mol
LogP2.28
Rot. Bonds11

About 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide

2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide (PubChem CID 55574026) has the molecular formula C23H31N3O4S2 and a molecular weight of 477.65 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
PubChem CID55574026
Molecular FormulaC23H31N3O4S2
Molecular Weight477.65 g/mol
Exact Mass477.18
IUPAC Name2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C23H31N3O4S2/c1-31-17-12-21(25-32(28,29)20-10-6-3-7-11-20)23(27)24-18-22(19-8-4-2-5-9-19)26-13-15-30-16-14-26/h2-11,21-22,25H,12-18H2,1H3,(H,24,27)
InChIKeyJRHSNKWAUCCNQI-UHFFFAOYSA-N
XLogP2.28
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonamido)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methylsulfanylbutanamide
CID 55331547
2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-morpholin-4-ylpropyl)butanamide
CID 55638466
N-[(2S)-1-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 37288622
2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 55679207
2-[(2-fluorophenyl)sulfonylamino]-N-(4-methyl-2-morpholin-4-ylpentyl)-4-methylsulfanylbutanamide
CID 55521691
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 24980638
N-[1-[[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43006661
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-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
2-(benzenesulfonamido)-4-methylsulfanyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 55933198

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The IUPAC name of 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide (CID 55574026) is 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The canonical SMILES for 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The InChIKey is JRHSNKWAUCCNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S2/c1-31-17-12-21(25-32(28,29)20-10-6-3-7-11-20)23(27)24-18-22(19-8-4-2-5-9-19)26-13-15-30-16-14-26/h2-11,21-22,25H,12-18H2,1H3,(H,24,27).
What are the key properties of 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide has a molecular weight of 477.65 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-4-methylsulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide is sourced from PubChem (CID 55574026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).