N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide

C26H32N2O4S2 — CID 142976535

IUPACN-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
SMILESCC(C)c1ccc(-c2ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-20(2)21-10-12-22(13-11-21)23-14-16-24(17-15-23)28(34(31,32)26-9-7-19-33-26)18-6-4-3-5-8-25(29)27-30/h7,9-17,19-20,30H,3-6,8,18H2,1-2H3,(H,27,29)
InChIKeySEOLXNKTUHHZSO-UHFFFAOYSA-N
MW500.69 g/mol
LogP6.19
Rot. Bonds12

About N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide

N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide (PubChem CID 142976535) has the molecular formula C26H32N2O4S2 and a molecular weight of 500.69 g/mol. Its IUPAC name is N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
PubChem CID142976535
Molecular FormulaC26H32N2O4S2
Molecular Weight500.69 g/mol
Exact Mass500.18
IUPAC NameN-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
SMILESCC(C)c1ccc(-c2ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C26H32N2O4S2/c1-20(2)21-10-12-22(13-11-21)23-14-16-24(17-15-23)28(34(31,32)26-9-7-19-33-26)18-6-4-3-5-8-25(29)27-30/h7,9-17,19-20,30H,3-6,8,18H2,1-2H3,(H,27,29)
InChIKeySEOLXNKTUHHZSO-UHFFFAOYSA-N
XLogP6.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 56.19
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

N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
CID 142976524
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
CID 11329486
N-(4-propan-2-ylphenyl)-N-prop-2-enylthiophene-2-sulfonamide
CID 100547585
N-hydroxy-7-[(4-propan-2-ylphenyl)sulfonyl-pyridin-2-ylamino]heptanamide
CID 141300681
N-hydroxy-2-[4-[(4-propan-2-ylphenyl)sulfonyl-(thiophen-2-ylmethyl)amino]phenyl]acetamide
CID 92695181
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
methyl 4-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 100548946
N-[2-(2-methylpropanoylamino)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24666466
N-[1-(3,4-dichlorophenyl)ethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596037
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43901770
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245
methyl 2-(4-iodo-N-thiophen-2-ylsulfonylanilino)acetate
CID 100548648

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide?
The IUPAC name of N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide (CID 142976535) is N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide?
The canonical SMILES for N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide is CC(C)c1ccc(-c2ccc(N(CCCCCCC(=O)NO)S(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide?
The InChIKey is SEOLXNKTUHHZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4S2/c1-20(2)21-10-12-22(13-11-21)23-14-16-24(17-15-23)28(34(31,32)26-9-7-19-33-26)18-6-4-3-5-8-25(29)27-30/h7,9-17,19-20,30H,3-6,8,18H2,1-2H3,(H,27,29).
What are the key properties of N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide?
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide has a molecular weight of 500.69 g/mol, XLogP of 6.19, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide is sourced from PubChem (CID 142976535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).