N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide

C20H18N2O3S — CID 135320550

IUPACN-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(C(=O)NO)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3S/c1-13-10-11-26-18(13)20(24)21-16-9-5-8-15(12-16)17(19(23)22-25)14-6-3-2-4-7-14/h2-12,17,25H,1H3,(H,21,24)(H,22,23)
InChIKeyBAOMGHWSWOJWQR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.95
Rot. Bonds5

About N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide

N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide (PubChem CID 135320550) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
PubChem CID135320550
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cccc(C(C(=O)NO)c2ccccc2)c1
InChIInChI=1S/C20H18N2O3S/c1-13-10-11-26-18(13)20(24)21-16-9-5-8-15(12-16)17(19(23)22-25)14-6-3-2-4-7-14/h2-12,17,25H,1H3,(H,21,24)(H,22,23)
InChIKeyBAOMGHWSWOJWQR-UHFFFAOYSA-N
XLogP3.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.95
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

N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]benzamide
CID 135320195
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
N-hydroxy-2-phenyl-2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]acetamide
CID 135320497
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
3-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 25436428
N-hydroxy-2-phenyl-2-[3-[(2-phenylsulfanylacetyl)amino]phenyl]acetamide
CID 135320520
N-(2-anilinophenyl)-3-methylthiophene-2-carboxamide
CID 112770069
2-bromo-5-[(3-methylthiophene-2-carbonyl)amino]benzoic acid
CID 113281020
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
2-[3-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-hydroxy-2-phenylacetamide
CID 135320509
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-[3-(cyclopropylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 17415846

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide (CID 135320550) is N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cccc(C(C(=O)NO)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide?
The InChIKey is BAOMGHWSWOJWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-13-10-11-26-18(13)20(24)21-16-9-5-8-15(12-16)17(19(23)22-25)14-6-3-2-4-7-14/h2-12,17,25H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide?
N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(hydroxyamino)-2-oxo-1-phenylethyl]phenyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 135320550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).