N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C17H22N2O4S2 — CID 2437957

IUPACN-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-17(2,3)18-15(20)12-19(13-8-5-6-9-14(13)23-4)25(21,22)16-10-7-11-24-16/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyQYENYZKIALVBNS-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.87
Rot. Bonds6

About N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 2437957) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID2437957
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC NameN-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-17(2,3)18-15(20)12-19(13-8-5-6-9-14(13)23-4)25(21,22)16-10-7-11-24-16/h5-11H,12H2,1-4H3,(H,18,20)
InChIKeyQYENYZKIALVBNS-UHFFFAOYSA-N
XLogP2.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 3617239
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-methylcyclohexyl)acetamide
CID 4297432
1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541
N~1~-(2-methoxy-5-methylphenyl)-2-phenyl-2-[(2-thienylsulfonyl)amino]acetamide
CID 15988678
5-Bromo-N-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}thiophene-2-sulfonamide
CID 15988692
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N~1~-(2-methoxyphenyl)-N~2~-(phenylsulfonyl)glycinamide
CID 891785
1-(2-Ethoxyphenyl)-4-(2-thienylsulfonyl)piperazine
CID 1091553
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1106405
N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-methyl-N-[2-(methylsulfanyl)phenyl]glycinamide
CID 1291266
N~2~-[(4-fluorophenyl)sulfonyl]-N-(2-methoxyphenyl)-N~2~-methylglycinamide
CID 1298773

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 2437957) is N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1.
What is the InChIKey of N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is QYENYZKIALVBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-17(2,3)18-15(20)12-19(13-8-5-6-9-14(13)23-4)25(21,22)16-10-7-11-24-16/h5-11H,12H2,1-4H3,(H,18,20).
What are the key properties of N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 382.51 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 2437957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).