5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide

C15H20N2O3S — CID 91233541

IUPAC5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide
SMILESCN(C(=O)C=Cc1ccc(C(=O)NO)s1)C1CCCCC1
InChIInChI=1S/C15H20N2O3S/c1-17(11-5-3-2-4-6-11)14(18)10-8-12-7-9-13(21-12)15(19)16-20/h7-11,20H,2-6H2,1H3,(H,16,19)
InChIKeyJTKSWYDWDOLUPH-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.67
Rot. Bonds4

About 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide

5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide (PubChem CID 91233541) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide
PubChem CID91233541
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide
SMILESCN(C(=O)C=Cc1ccc(C(=O)NO)s1)C1CCCCC1
InChIInChI=1S/C15H20N2O3S/c1-17(11-5-3-2-4-6-11)14(18)10-8-12-7-9-13(21-12)15(19)16-20/h7-11,20H,2-6H2,1H3,(H,16,19)
InChIKeyJTKSWYDWDOLUPH-UHFFFAOYSA-N
XLogP2.67
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 692470
(E)-N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 6231547
N-cyclohexyl-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 4923225
3-(3-bromophenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 3285208
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 55334511
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylprop-2-enamide
CID 76857537
(E)-3-(1,3-benzodioxol-5-yl)-N-cycloheptyl-N-methylprop-2-enamide
CID 51287153
N-cyclohexyl-N-methylbut-2-enamide
CID 78907896
3-[5-[(2-methylcyclohexyl)methylcarbamoyl]thiophen-2-yl]prop-2-enoic acid
CID 76912828
3-[5-[3-(dimethylamino)piperidine-1-carbonyl]thiophen-2-yl]prop-2-enoic acid
CID 77109995
(E)-3-[4-(cyanomethoxy)phenyl]-N-cyclohexyl-N-methylprop-2-enamide
CID 46542781
(E)-N-cycloheptyl-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 55468763

Frequently Asked Questions

What is the IUPAC name of 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide?
The IUPAC name of 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide (CID 91233541) is 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide.
What is the SMILES notation for 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide?
The canonical SMILES for 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide is CN(C(=O)C=Cc1ccc(C(=O)NO)s1)C1CCCCC1.
What is the InChIKey of 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide?
The InChIKey is JTKSWYDWDOLUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-17(11-5-3-2-4-6-11)14(18)10-8-12-7-9-13(21-12)15(19)16-20/h7-11,20H,2-6H2,1H3,(H,16,19).
What are the key properties of 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide?
5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]-N-hydroxythiophene-2-carboxamide is sourced from PubChem (CID 91233541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).