3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide

C23H26N2O4S — CID 112771331

IUPAC3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NC(C)c2cccc3ccccc23)C(C)O)cc1
InChIInChI=1S/C23H26N2O4S/c1-15-11-13-19(14-12-15)30(28,29)25-22(17(3)26)23(27)24-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16-17,22,25-26H,1-3H3,(H,24,27)
InChIKeyUKBBHBNVOQWPOQ-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.05
Rot. Bonds7

About 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide

3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide (PubChem CID 112771331) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
PubChem CID112771331
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide
SMILESCc1ccc(S(=O)(=O)NC(C(=O)NC(C)c2cccc3ccccc23)C(C)O)cc1
InChIInChI=1S/C23H26N2O4S/c1-15-11-13-19(14-12-15)30(28,29)25-22(17(3)26)23(27)24-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16-17,22,25-26H,1-3H3,(H,24,27)
InChIKeyUKBBHBNVOQWPOQ-UHFFFAOYSA-N
XLogP3.05
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]butanamide
CID 25496727
(2S,3S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]pentanamide
CID 126339303
2-[(4-bromophenyl)sulfonylamino]-3-naphthalen-1-ylbutanoic acid
CID 138520359
benzyl (2S)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 22215096
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
(2S)-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 51857607
4-methylsulfonyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 9439131
N-(1-naphthalen-1-ylethyl)-4-nitrobenzenesulfonamide
CID 55353964
N-(1-naphthalen-1-ylethyl)-4-propan-2-ylsulfonylbenzamide
CID 55757507
2-bromo-3-methyl-N-(1-naphthalen-1-ylethyl)butanamide
CID 43346795
4-methyl-N-[(1S,2R)-2-methyl-3-morpholin-4-yl-1-naphthalen-1-yl-3-oxopropyl]benzenesulfonamide
CID 24751692
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide?
The IUPAC name of 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide (CID 112771331) is 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide.
What is the SMILES notation for 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide?
The canonical SMILES for 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide is Cc1ccc(S(=O)(=O)NC(C(=O)NC(C)c2cccc3ccccc23)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide?
The InChIKey is UKBBHBNVOQWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-15-11-13-19(14-12-15)30(28,29)25-22(17(3)26)23(27)24-16(2)20-10-6-8-18-7-4-5-9-21(18)20/h4-14,16-17,22,25-26H,1-3H3,(H,24,27).
What are the key properties of 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide?
3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide has a molecular weight of 426.54 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-N-(1-naphthalen-1-ylethyl)butanamide is sourced from PubChem (CID 112771331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).