N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide

C11H12N2O2S — CID 4743211

IUPACN-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide
SMILESO=C(NC1CSC=C1NO)c1ccccc1
InChIInChI=1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,7,9,13,15H,6H2,(H,12,14)
InChIKeyMQGBELGFONPPQO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.35
Rot. Bonds3

About N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide

N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide (PubChem CID 4743211) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide
PubChem CID4743211
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC NameN-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide
SMILESO=C(NC1CSC=C1NO)c1ccccc1
InChIInChI=1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,7,9,13,15H,6H2,(H,12,14)
InChIKeyMQGBELGFONPPQO-UHFFFAOYSA-N
XLogP1.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-(3-aminocyclobutyl)benzamide
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N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
benzene;N-(2-oxopyrrolidin-1-id-3-yl)benzamide;yttrium
CID 162437723
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-(oxan-2-yl)benzamide
CID 3717262
N-(3-methyl-2,6-dioxo-1,3-diazinan-4-yl)benzamide
CID 76851971
methyl (2R,3E,4S)-4-benzamido-3-hydroxyiminothiolane-2-carboxylate
CID 7340231
N-(2-ethylcyclopropyl)benzamide
CID 103669419
N-hydroxybenzamide;nickel
CID 88846751

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide?
The IUPAC name of N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide (CID 4743211) is N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide.
What is the SMILES notation for N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide?
The canonical SMILES for N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide is O=C(NC1CSC=C1NO)c1ccccc1.
What is the InChIKey of N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide?
The InChIKey is MQGBELGFONPPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c14-11(8-4-2-1-3-5-8)12-9-6-16-7-10(9)13-15/h1-5,7,9,13,15H,6H2,(H,12,14).
What are the key properties of N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide?
N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide has a molecular weight of 236.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-2,3-dihydrothiophen-3-yl]benzamide is sourced from PubChem (CID 4743211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).