N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide

C19H24N2O5S — CID 10135125

IUPACN-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide
SMILESCOc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)11-19(18(22)21-23,12-15-5-4-10-20-13-15)27(24,25)17-8-6-16(26-3)7-9-17/h4-10,13-14,23H,11-12H2,1-3H3,(H,21,22)
InChIKeyOQOVBCVMAHMMFY-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.40
Rot. Bonds8

About N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide

N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide (PubChem CID 10135125) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide
PubChem CID10135125
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC NameN-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide
SMILESCOc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC(C)C)C(=O)NO)cc1
InChIInChI=1S/C19H24N2O5S/c1-14(2)11-19(18(22)21-23,12-15-5-4-10-20-13-15)27(24,25)17-8-6-16(26-3)7-9-17/h4-10,13-14,23H,11-12H2,1-3H3,(H,21,22)
InChIKeyOQOVBCVMAHMMFY-UHFFFAOYSA-N
XLogP2.40
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Cgs-27023
CID 446504
Way-151693
CID 4368
Butanamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(3-pyridinylmethyl)amino)-3-methyl-, hydrochloride (1:1), (2R)-
CID 9888897
(2R)-N-Hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]hexanamide
CID 10527557
Acetamide, N-hydroxy-2-[[(4-methoxyphenyl)sulfonyl](3-pyridinylmethyl)amino]-
CID 10545870
(2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-4-methylpentanamide
CID 10645086
N-Hydroxy-N~2~-[(4-Methoxyphenyl)sulfonyl]-N~2~-(Pyridin-4-Ylmethyl)glycinamide
CID 10831751
N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 10120093
N-hydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-4-carboxamide
CID 20735364
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pent-4-enamide
CID 71465421
(2S)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylmethyl)sulfonamido]-3-methylbutanamide
CID 11794888

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide (CID 10135125) is N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide is COc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC(C)C)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is OQOVBCVMAHMMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-14(2)11-19(18(22)21-23,12-15-5-4-10-20-13-15)27(24,25)17-8-6-16(26-3)7-9-17/h4-10,13-14,23H,11-12H2,1-3H3,(H,21,22).
What are the key properties of N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide?
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 392.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxyphenyl)sulfonyl-4-methyl-2-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 10135125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).