N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C19H26N4O6S2 — CID 171783641

IUPACN-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCC(=O)NO
InChIInChI=1S/C19H26N4O6S2/c1-11-16(30-18(21-11)22-17(25)19(2,3)4)12-6-7-13(29-5)14(10-12)31(27,28)20-9-8-15(24)23-26/h6-7,10,20,26H,8-9H2,1-5H3,(H,23,24)(H,21,22,25)
InChIKeyDCMBCBCIQHSMKX-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.29
Rot. Bonds8

About N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 171783641) has the molecular formula C19H26N4O6S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID171783641
Molecular FormulaC19H26N4O6S2
Molecular Weight470.57 g/mol
Exact Mass470.13
IUPAC NameN-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCC(=O)NO
InChIInChI=1S/C19H26N4O6S2/c1-11-16(30-18(21-11)22-17(25)19(2,3)4)12-6-7-13(29-5)14(10-12)31(27,28)20-9-8-15(24)23-26/h6-7,10,20,26H,8-9H2,1-5H3,(H,23,24)(H,21,22,25)
InChIKeyDCMBCBCIQHSMKX-UHFFFAOYSA-N
XLogP2.29
TPSA146.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

5-[[5-[2-(2,2-dimethylpropanoylamino)-4-methyl-1,3-thiazol-5-yl]-2-methoxyphenyl]sulfonylamino]-N-hydroxypentanamide
CID 171783638
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 155055805
N-[5-[3-[[4-hydroxy-3-(2-methylpropyl)phenyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 154677931
N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
CID 175592107
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-phenylacetamide
CID 89493780
1-tert-butyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548663
N-[5-[4-methoxy-3-(propan-2-ylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 71550486
N-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 71549649
1,1-diethyl-3-[5-[3-[(4-hydroxyphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 71548661
2-cyclopentyl-N-[5-[3-[(3-hydroxy-5-methylphenyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 121452726
2-cyclopentyl-N-[5-[3-[(4,6-dimethyl-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89493981
tert-butyl N-ethylcarbamate;N-[5-[4-methoxy-3-(sulfamoylamino)phenyl]-4-methyl-1,3-thiazol-2-yl]hexanamide
CID 175538036

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 171783641) is N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCC(=O)NO.
What is the InChIKey of N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is DCMBCBCIQHSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S2/c1-11-16(30-18(21-11)22-17(25)19(2,3)4)12-6-7-13(29-5)14(10-12)31(27,28)20-9-8-15(24)23-26/h6-7,10,20,26H,8-9H2,1-5H3,(H,23,24)(H,21,22,25).
What are the key properties of N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 470.57 g/mol, XLogP of 2.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[[3-(hydroxyamino)-3-oxopropyl]sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 171783641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).