6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

C20H17ClN2O3S — CID 11269595

IUPAC6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2s1
InChIInChI=1S/C20H17ClN2O3S/c21-14-5-3-13(4-6-14)20(8-1-9-20)19(25)22-15-7-2-12-10-17(18(24)23-26)27-16(12)11-15/h2-7,10-11,26H,1,8-9H2,(H,22,25)(H,23,24)
InChIKeyCIUHREBLVORXDJ-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.73
Rot. Bonds4

About 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide

6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (PubChem CID 11269595) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
PubChem CID11269595
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide
SMILESO=C(NO)c1cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2s1
InChIInChI=1S/C20H17ClN2O3S/c21-14-5-3-13(4-6-14)20(8-1-9-20)19(25)22-15-7-2-12-10-17(18(24)23-26)27-16(12)11-15/h2-7,10-11,26H,1,8-9H2,(H,22,25)(H,23,24)
InChIKeyCIUHREBLVORXDJ-UHFFFAOYSA-N
XLogP4.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-chloro-5-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N,N-dimethylbenzamide
CID 55674742
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)cyclobutane-1-carboxamide
CID 55415843
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-(4-chlorophenyl)-N-(3-ethynylphenyl)cyclobutane-1-carboxamide
CID 55514323
5-chloro-N-(4-chlorophenyl)-2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]benzamide
CID 44530362
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799
N-(3-chloro-4-fluorophenyl)-1-[4-(methylcarbamoylamino)phenyl]cyclobutane-1-carboxamide
CID 53110613
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
1-(4-chlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclopentane-1-carboxamide
CID 134019851
3-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]-N-methylbenzamide
CID 43000556
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
1-(4-chlorophenyl)-N-(4-cyanophenyl)cyclopropane-1-carboxamide
CID 26289781

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The IUPAC name of 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide (CID 11269595) is 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The canonical SMILES for 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is O=C(NO)c1cc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCC3)cc2s1.
What is the InChIKey of 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
The InChIKey is CIUHREBLVORXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c21-14-5-3-13(4-6-14)20(8-1-9-20)19(25)22-15-7-2-12-10-17(18(24)23-26)27-16(12)11-15/h2-7,10-11,26H,1,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide?
6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 4.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]-N-hydroxy-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11269595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).