N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C20H19ClN2O5S2 — CID 2418935

IUPACN-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C20H19ClN2O5S2/c1-27-17-10-9-14(12-15(17)21)22-19(24)13-23(16-6-3-4-7-18(16)28-2)30(25,26)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyFBKDNJHAYGHTLH-UHFFFAOYSA-N
MW466.97 g/mol
LogP4.25
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 2418935) has the molecular formula C20H19ClN2O5S2 and a molecular weight of 466.97 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID2418935
Molecular FormulaC20H19ClN2O5S2
Molecular Weight466.97 g/mol
Exact Mass466.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1Cl
InChIInChI=1S/C20H19ClN2O5S2/c1-27-17-10-9-14(12-15(17)21)22-19(24)13-23(16-6-3-4-7-18(16)28-2)30(25,26)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyFBKDNJHAYGHTLH-UHFFFAOYSA-N
XLogP4.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965468
N-(5-chloro-2-methoxyphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965785
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2-methoxy-phenyl)-acetamide
CID 1105780
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(2,4-dimethoxy-phenyl)-acetamide
CID 1105782
2-[Benzenesulfonyl-(3-chloro-4-methoxy-phenyl)-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108099
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1210673
N-(3-chloro-4-methoxyphenyl)-N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 1331482
N-cyclohexyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2089888
N-tert-butyl-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 2437957
N-(3-chloro-4-methoxyphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 2655774
N~1~-(4-methoxyphenyl)-N~2~-methyl-N~2~-(thien-2-ylsulfonyl)glycinamide
CID 3241065
2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 15989652

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 2418935) is N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccc(NC(=O)CN(c2ccccc2OC)S(=O)(=O)c2cccs2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is FBKDNJHAYGHTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5S2/c1-27-17-10-9-14(12-15(17)21)22-19(24)13-23(16-6-3-4-7-18(16)28-2)30(25,26)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 466.97 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 2418935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).