N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

C20H18F2N2O5S2 — CID 29221704

IUPACN-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H18F2N2O5S2/c1-28-17-6-3-2-5-16(17)24(31(26,27)19-7-4-12-30-19)13-18(25)23-14-8-10-15(11-9-14)29-20(21)22/h2-12,20H,13H2,1H3,(H,23,25)
InChIKeyDGCHVPLSNLGWFP-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.19
Rot. Bonds9

About N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide

N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (PubChem CID 29221704) has the molecular formula C20H18F2N2O5S2 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
PubChem CID29221704
Molecular FormulaC20H18F2N2O5S2
Molecular Weight468.50 g/mol
Exact Mass468.06
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C20H18F2N2O5S2/c1-28-17-6-3-2-5-16(17)24(31(26,27)19-7-4-12-30-19)13-18(25)23-14-8-10-15(11-9-14)29-20(21)22/h2-12,20H,13H2,1H3,(H,23,25)
InChIKeyDGCHVPLSNLGWFP-UHFFFAOYSA-N
XLogP4.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 47004357
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 1334036
N-[2-(4-methoxyphenyl)ethyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221650
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 24626467
2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30803668
N-[(4-chlorophenyl)methyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide
CID 29221629
N-[4-(difluoromethoxy)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 4818683
N-(3-chloro-4-methylphenyl)-2-(2-fluoro-N-thiophen-2-ylsulfonylanilino)acetamide
CID 30265197
N-(3,4-dimethylphenyl)-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 53280522
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
2-(2-methoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1321632

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide (CID 29221704) is N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is COc1ccccc1N(CC(=O)Nc1ccc(OC(F)F)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
The InChIKey is DGCHVPLSNLGWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O5S2/c1-28-17-6-3-2-5-16(17)24(31(26,27)19-7-4-12-30-19)13-18(25)23-14-8-10-15(11-9-14)29-20(21)22/h2-12,20H,13H2,1H3,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide?
N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide has a molecular weight of 468.50 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-(2-methoxy-N-thiophen-2-ylsulfonylanilino)acetamide is sourced from PubChem (CID 29221704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).