N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

C23H27N3O4S2 — CID 2345854

IUPACN-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H27N3O4S2/c1-4-26(5-2)20-10-8-18(9-11-20)24-22(27)17-30-21-14-12-19(13-15-21)25(3)32(28,29)23-7-6-16-31-23/h6-16H,4-5,17H2,1-3H3,(H,24,27)
InChIKeyXHLZVGCBRGPKIR-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.44
Rot. Bonds10

About N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide

N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (PubChem CID 2345854) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
PubChem CID2345854
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
SMILESCCN(CC)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C23H27N3O4S2/c1-4-26(5-2)20-10-8-18(9-11-20)24-22(27)17-30-21-14-12-19(13-15-21)25(3)32(28,29)23-7-6-16-31-23/h6-16H,4-5,17H2,1-3H3,(H,24,27)
InChIKeyXHLZVGCBRGPKIR-UHFFFAOYSA-N
XLogP4.44
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide (CID 2345854) is N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is CCN(CC)c1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is XHLZVGCBRGPKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-4-26(5-2)20-10-8-18(9-11-20)24-22(27)17-30-21-14-12-19(13-15-21)25(3)32(28,29)23-7-6-16-31-23/h6-16H,4-5,17H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide?
N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 473.62 g/mol, XLogP of 4.44, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 2345854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).