N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide

C17H20N2O3S2 — CID 144791864

IUPACN-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide
SMILESCSC(CCNC(=O)c1ccc(-c2ccc(C)s2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O3S2/c1-11-3-8-14(24-11)12-4-6-13(7-5-12)16(20)18-10-9-15(23-2)17(21)19-22/h3-8,15,22H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYUNWKCPVNWBBOK-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.08
Rot. Bonds7

About N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide

N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide (PubChem CID 144791864) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide
PubChem CID144791864
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide
SMILESCSC(CCNC(=O)c1ccc(-c2ccc(C)s2)cc1)C(=O)NO
InChIInChI=1S/C17H20N2O3S2/c1-11-3-8-14(24-11)12-4-6-13(7-5-12)16(20)18-10-9-15(23-2)17(21)19-22/h3-8,15,22H,9-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYUNWKCPVNWBBOK-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.08
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide?
The IUPAC name of N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide (CID 144791864) is N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide.
What is the SMILES notation for N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide?
The canonical SMILES for N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide is CSC(CCNC(=O)c1ccc(-c2ccc(C)s2)cc1)C(=O)NO.
What is the InChIKey of N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide?
The InChIKey is YUNWKCPVNWBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-11-3-8-14(24-11)12-4-6-13(7-5-12)16(20)18-10-9-15(23-2)17(21)19-22/h3-8,15,22H,9-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide?
N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxyamino)-3-methylsulfanyl-4-oxobutyl]-4-(5-methylthiophen-2-yl)benzamide is sourced from PubChem (CID 144791864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).