N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide

C21H29N3O4S — CID 141300681

IUPACN-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
SMILESCC(C)c1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1
InChIInChI=1S/C21H29N3O4S/c1-17(2)18-11-13-19(14-12-18)29(27,28)24(20-9-6-7-15-22-20)16-8-4-3-5-10-21(25)23-26/h6-7,9,11-15,17,26H,3-5,8,10,16H2,1-2H3,(H,23,25)
InChIKeyLCUDKYUSEIPOQH-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.86
Rot. Bonds11

About N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide

N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide (PubChem CID 141300681) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
PubChem CID141300681
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
SMILESCC(C)c1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1
InChIInChI=1S/C21H29N3O4S/c1-17(2)18-11-13-19(14-12-18)29(27,28)24(20-9-6-7-15-22-20)16-8-4-3-5-10-21(25)23-26/h6-7,9,11-15,17,26H,3-5,8,10,16H2,1-2H3,(H,23,25)
InChIKeyLCUDKYUSEIPOQH-UHFFFAOYSA-N
XLogP3.86
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.86
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

7-[(4-butylphenyl)sulfonyl-pyridin-2-ylamino]-N-hydroxyheptanamide
CID 141300682
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(pyridin-2-ylmethyl)acetamide
CID 1142996
3-[propan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]propanoic acid
CID 60830015
2-[(4-propan-2-ylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993012
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]nonanamide
CID 55893382
N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
CID 92695181
7-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]heptanamide
CID 119741155
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
(6E)-6-[(4-propan-2-ylphenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 6198735
3-[(4-chlorophenyl)sulfonyl-pentylamino]-N-hydroxypropanamide
CID 142683275
N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]-4-methylpentanamide
CID 22907097

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide?
The IUPAC name of N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide (CID 141300681) is N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide?
The canonical SMILES for N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide is CC(C)c1ccc(S(=O)(=O)N(CCCCCCC(=O)NO)c2ccccn2)cc1.
What is the InChIKey of N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide?
The InChIKey is LCUDKYUSEIPOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-17(2)18-11-13-19(14-12-18)29(27,28)24(20-9-6-7-15-22-20)16-8-4-3-5-10-21(25)23-26/h6-7,9,11-15,17,26H,3-5,8,10,16H2,1-2H3,(H,23,25).
What are the key properties of N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide?
N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide has a molecular weight of 419.55 g/mol, XLogP of 3.86, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide is sourced from PubChem (CID 141300681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).