N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide

C17H16N2O3S2 — CID 76780138

IUPACN-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(C(=O)NO)s2)sc2ccccc12
InChIInChI=1S/C17H16N2O3S2/c1-9-11-5-3-4-6-13(11)24-15(9)17(21)18-10(2)12-7-8-14(23-12)16(20)19-22/h3-8,10,22H,1-2H3,(H,18,21)(H,19,20)
InChIKeyWJJPNAALJDKQHP-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.88
Rot. Bonds4

About N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide

N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 76780138) has the molecular formula C17H16N2O3S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID76780138
Molecular FormulaC17H16N2O3S2
Molecular Weight360.46 g/mol
Exact Mass360.06
IUPAC NameN-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(C)c2ccc(C(=O)NO)s2)sc2ccccc12
InChIInChI=1S/C17H16N2O3S2/c1-9-11-5-3-4-6-13(11)24-15(9)17(21)18-10(2)12-7-8-14(23-12)16(20)19-22/h3-8,10,22H,1-2H3,(H,18,21)(H,19,20)
InChIKeyWJJPNAALJDKQHP-UHFFFAOYSA-N
XLogP3.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide
CID 58418261
N-[1-(3,4-difluorophenyl)ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 24503597
(2R)-3,3-dimethyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 103926754
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103801431
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
4-amino-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 43242025
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 55748601
5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide
CID 58418156
2-N-hydroxy-5-N-[1-[5-(3-methylphenyl)thiophen-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 11494760
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
N,3-dimethyl-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 78844061
N-[4-(carbamoylamino)phenyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 33154115

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 76780138) is N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC(C)c2ccc(C(=O)NO)s2)sc2ccccc12.
What is the InChIKey of N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is WJJPNAALJDKQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S2/c1-9-11-5-3-4-6-13(11)24-15(9)17(21)18-10(2)12-7-8-14(23-12)16(20)19-22/h3-8,10,22H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide?
N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 76780138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).