2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide

C22H24N2O4S2 — CID 24626467

IUPAC2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S2/c1-17(18-9-4-3-5-10-18)15-23-21(25)16-24(19-11-6-7-12-20(19)28-2)30(26,27)22-13-8-14-29-22/h3-14,17H,15-16H2,1-2H3,(H,23,25)
InChIKeyPGNPPTXMCAFYKK-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.87
Rot. Bonds9

About 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 24626467) has the molecular formula C22H24N2O4S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID24626467
Molecular FormulaC22H24N2O4S2
Molecular Weight444.58 g/mol
Exact Mass444.12
IUPAC Name2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCOc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H24N2O4S2/c1-17(18-9-4-3-5-10-18)15-23-21(25)16-24(19-11-6-7-12-20(19)28-2)30(26,27)22-13-8-14-29-22/h3-14,17H,15-16H2,1-2H3,(H,23,25)
InChIKeyPGNPPTXMCAFYKK-UHFFFAOYSA-N
XLogP3.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-(2-methylpropyl)acetamide
CID 3139097
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125057674
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(2R)-2-phenylpropyl]acetamide
CID 125057558
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221704
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7966742
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
N-ethyl-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30255328
N-(2-benzylbutyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 43901298

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 24626467) is 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide is COc1ccccc1N(CC(=O)NCC(C)c1ccccc1)S(=O)(=O)c1cccs1.
What is the InChIKey of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is PGNPPTXMCAFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S2/c1-17(18-9-4-3-5-10-18)15-23-21(25)16-24(19-11-6-7-12-20(19)28-2)30(26,27)22-13-8-14-29-22/h3-14,17H,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 444.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 24626467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).