N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide

C19H31NO5S — CID 54510474

IUPACN-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide
SMILESCCCCCCC(C(=O)NO)S(=O)(=O)c1ccc(OC(CC)CC)cc1
InChIInChI=1S/C19H31NO5S/c1-4-7-8-9-10-18(19(21)20-22)26(23,24)17-13-11-16(12-14-17)25-15(5-2)6-3/h11-15,18,22H,4-10H2,1-3H3,(H,20,21)
InChIKeyYITBEBNXOHDRAM-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.87
Rot. Bonds12

About N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide

N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide (PubChem CID 54510474) has the molecular formula C19H31NO5S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide
PubChem CID54510474
Molecular FormulaC19H31NO5S
Molecular Weight385.53 g/mol
Exact Mass385.19
IUPAC NameN-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide
SMILESCCCCCCC(C(=O)NO)S(=O)(=O)c1ccc(OC(CC)CC)cc1
InChIInChI=1S/C19H31NO5S/c1-4-7-8-9-10-18(19(21)20-22)26(23,24)17-13-11-16(12-14-17)25-15(5-2)6-3/h11-15,18,22H,4-10H2,1-3H3,(H,20,21)
InChIKeyYITBEBNXOHDRAM-UHFFFAOYSA-N
XLogP3.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methoxyphenyl)sulfonyloctanoic acid
CID 129382055
(2R)-2-(4-but-2-ynoxyphenyl)sulfonyloctanoic acid
CID 129382603
4-octan-3-yloxyphenol
CID 54268247
N-hydroxy-2-naphthalen-2-yloxyundecanamide
CID 14032482
2-(2-amino-1-naphthalen-2-yl-2-oxoethyl)sulfonyl-N-hydroxyoctanamide
CID 150866460
4-[(5S)-dodecan-5-yl]oxybenzoic acid
CID 129396336
2-[4-(4-acetyloxyphenyl)sulfonylphenoxy]dodecanoic acid
CID 19070378
3-(3,4-dihydroxyphenoxy)nonadecanoic acid
CID 139673022
CID 172702107
CID 172702107
4-[4-[1-(4-propylanilino)dodecan-2-yloxy]phenyl]sulfonylphenol
CID 54217598
2-[4-(oxan-2-yloxy)phenyl]sulfonyloctanoic acid
CID 18433705
1-butoxy-4-pentan-3-yloxybenzene
CID 90865394

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide?
The IUPAC name of N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide (CID 54510474) is N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide.
What is the SMILES notation for N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide?
The canonical SMILES for N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide is CCCCCCC(C(=O)NO)S(=O)(=O)c1ccc(OC(CC)CC)cc1.
What is the InChIKey of N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide?
The InChIKey is YITBEBNXOHDRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO5S/c1-4-7-8-9-10-18(19(21)20-22)26(23,24)17-13-11-16(12-14-17)25-15(5-2)6-3/h11-15,18,22H,4-10H2,1-3H3,(H,20,21).
What are the key properties of N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide?
N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide has a molecular weight of 385.53 g/mol, XLogP of 3.87, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-pentan-3-yloxyphenyl)sulfonyloctanamide is sourced from PubChem (CID 54510474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).