N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide

C22H36N4O5S2 — CID 175592107

IUPACN-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCCCCCC(=O)NO.CCCCCNc1nc(C)c(-c2ccc(OC)c(S(N)(=O)=O)c2)s1
InChIInChI=1S/C16H23N3O3S2.C6H13NO2/c1-4-5-6-9-18-16-19-11(2)15(23-16)12-7-8-13(22-3)14(10-12)24(17,20)21;1-2-3-4-5-6(8)7-9/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)(H2,17,20,21);9H,2-5H2,1H3,(H,7,8)
InChIKeyAUOXATBVCHWOSX-UHFFFAOYSA-N
MW500.69 g/mol
LogP4.45
Rot. Bonds12

About N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide

N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 175592107) has the molecular formula C22H36N4O5S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID175592107
Molecular FormulaC22H36N4O5S2
Molecular Weight500.69 g/mol
Exact Mass500.21
IUPAC NameN-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide
SMILESCCCCCC(=O)NO.CCCCCNc1nc(C)c(-c2ccc(OC)c(S(N)(=O)=O)c2)s1
InChIInChI=1S/C16H23N3O3S2.C6H13NO2/c1-4-5-6-9-18-16-19-11(2)15(23-16)12-7-8-13(22-3)14(10-12)24(17,20)21;1-2-3-4-5-6(8)7-9/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)(H2,17,20,21);9H,2-5H2,1H3,(H,7,8)
InChIKeyAUOXATBVCHWOSX-UHFFFAOYSA-N
XLogP4.45
TPSA143.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.69
LogP ≤ 54.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide (CID 175592107) is N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide is CCCCCC(=O)NO.CCCCCNc1nc(C)c(-c2ccc(OC)c(S(N)(=O)=O)c2)s1.
What is the InChIKey of N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is AUOXATBVCHWOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S2.C6H13NO2/c1-4-5-6-9-18-16-19-11(2)15(23-16)12-7-8-13(22-3)14(10-12)24(17,20)21;1-2-3-4-5-6(8)7-9/h7-8,10H,4-6,9H2,1-3H3,(H,18,19)(H2,17,20,21);9H,2-5H2,1H3,(H,7,8).
What are the key properties of N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide?
N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 500.69 g/mol, XLogP of 4.45, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxyhexanamide;2-methoxy-5-[4-methyl-2-(pentylamino)-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 175592107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).