N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide

C31H28N2O4S2 — CID 174431557

About N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide

N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide (PubChem CID 174431557) has the molecular formula C31H28N2O4S2 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide
• PubChem CID: 174431557
• Molecular Formula: C31H28N2O4S2
• Molecular Weight: 556.71 g/mol
• Exact Mass: 556.15
• IUPAC Name: N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide
• SMILES: CS(=O)(=O)NCC(=O)N(O)c1cccc(-c2ccc(C3=Cc4ccc5c(c4CC3)CCc3ccccc3-5)s2)c1
• InChI: InChI=1S/C31H28N2O4S2/c1-39(36,37)32-19-31(34)33(35)24-7-4-6-22(18-24)29-15-16-30(38-29)23-11-12-26-21(17-23)10-14-27-25-8-3-2-5-20(25)9-13-28(26)27/h2-8,10,14-18,32,35H,9,11-13,19H2,1H3
• InChIKey: QWFOKEZTNVKTLS-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 86.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.71
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide?

The IUPAC name of N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide (CID 174431557) is N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide.

What is the SMILES notation for N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide?

The canonical SMILES for N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide is CS(=O)(=O)NCC(=O)N(O)c1cccc(-c2ccc(C3=Cc4ccc5c(c4CC3)CCc3ccccc3-5)s2)c1.

What is the InChIKey of N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide?

The InChIKey is QWFOKEZTNVKTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4S2/c1-39(36,37)32-19-31(34)33(35)24-7-4-6-22(18-24)29-15-16-30(38-29)23-11-12-26-21(17-23)10-14-27-25-8-3-2-5-20(25)9-13-28(26)27/h2-8,10,14-18,32,35H,9,11-13,19H2,1H3.

What are the key properties of N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide?

N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide has a molecular weight of 556.71 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-(methanesulfonamido)-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]acetamide is sourced from PubChem (CID 174431557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).