2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide

C22H28N2O5S — CID 10113667

IUPAC2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC2CCCCC2)C(=O)NO)cc1
InChIInChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)24-26,14-17-6-3-2-4-7-17)15-18-8-5-13-23-16-18/h5,8-13,16-17,26H,2-4,6-7,14-15H2,1H3,(H,24,25)
InChIKeyBSRJZWBKKVMMRD-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.32
Rot. Bonds8

About 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide

2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide (PubChem CID 10113667) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide
PubChem CID10113667
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC2CCCCC2)C(=O)NO)cc1
InChIInChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)24-26,14-17-6-3-2-4-7-17)15-18-8-5-13-23-16-18/h5,8-13,16-17,26H,2-4,6-7,14-15H2,1H3,(H,24,25)
InChIKeyBSRJZWBKKVMMRD-UHFFFAOYSA-N
XLogP3.32
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 53.32
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

3-ethyl-2-(4-methoxyphenyl)sulfonyl-5-methyl-2-(pyridin-3-ylmethyl)hex-4-enoic acid
CID 160955841
hydroxylamine;2-(4-methoxyphenyl)sulfonyl-2-(pyridin-3-ylmethyl)dec-3-ynoic acid
CID 70151389
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 1081627
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanamide;hydrochloride
CID 22907040
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-phenylpropanamide
CID 170380842
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propanamide
CID 89137426
(2R)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-4,4-dimethylpentanamide
CID 10526209
tert-butyl N-cycloheptyl-N-[[4-[4-[[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]phenyl]methyl]carbamate
CID 139943745
2-cyclohexyl-2-(4-methoxyphenyl)sulfonyl-2-(pyridin-4-ylmethylamino)acetamide
CID 67556449
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-2-methyl-3-quinolin-6-ylpropanamide
CID 10135613
(2S)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]pentanamide
CID 177375287

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide (CID 10113667) is 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide is COc1ccc(S(=O)(=O)C(Cc2cccnc2)(CC2CCCCC2)C(=O)NO)cc1.
What is the InChIKey of 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide?
The InChIKey is BSRJZWBKKVMMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)24-26,14-17-6-3-2-4-7-17)15-18-8-5-13-23-16-18/h5,8-13,16-17,26H,2-4,6-7,14-15H2,1H3,(H,24,25).
What are the key properties of 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide?
2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide has a molecular weight of 432.54 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 10113667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).