N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide

C18H17NO3S2 — CID 58418261

IUPACN-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCc1c(C(=O)C[C@H](C)c2ccc(C(=O)NO)s2)sc2ccccc12
InChIInChI=1S/C18H17NO3S2/c1-10(14-7-8-16(23-14)18(21)19-22)9-13(20)17-11(2)12-5-3-4-6-15(12)24-17/h3-8,10,22H,9H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyYQNMHJZKBQLCTO-JTQLQIEISA-N
MW359.47 g/mol
LogP4.77
Rot. Bonds5

About N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide

N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 58418261) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID58418261
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCc1c(C(=O)C[C@H](C)c2ccc(C(=O)NO)s2)sc2ccccc12
InChIInChI=1S/C18H17NO3S2/c1-10(14-7-8-16(23-14)18(21)19-22)9-13(20)17-11(2)12-5-3-4-6-15(12)24-17/h3-8,10,22H,9H2,1-2H3,(H,19,21)/t10-/m0/s1
InChIKeyYQNMHJZKBQLCTO-JTQLQIEISA-N
XLogP4.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
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-[1-[5-(hydroxycarbamoyl)thiophen-2-yl]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 76780138
3-methyl-4-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 81064657
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-benzothiophene-2-carboxamide
CID 18160860
4-amino-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]-4-oxobutanoic acid
CID 43242025
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
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 104630064
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 103801431
5-[1-(benzenesulfonamido)ethyl]-N-hydroxythiophene-2-carboxamide
CID 58418156
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-benzothiophene-2-carboxamide
CID 29410627
3-methyl-N-[3-(methylamino)-3-oxopropyl]-1-benzothiophene-2-carboxamide
CID 47068455
(2R)-3,3-dimethyl-2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]butanoic acid
CID 103926754

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide (CID 58418261) is N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide is Cc1c(C(=O)C[C@H](C)c2ccc(C(=O)NO)s2)sc2ccccc12.
What is the InChIKey of N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is YQNMHJZKBQLCTO-JTQLQIEISA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-10(14-7-8-16(23-14)18(21)19-22)9-13(20)17-11(2)12-5-3-4-6-15(12)24-17/h3-8,10,22H,9H2,1-2H3,(H,19,21)/t10-/m0/s1.
What are the key properties of N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide?
N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[(2S)-4-(3-methyl-1-benzothiophen-2-yl)-4-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58418261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).