4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide

C20H21F2N3O6S — CID 42487439

IUPAC4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O6S/c1-30-17-11-13(3-8-16(17)31-20(21)22)19(27)23-12-18(26)24-14-4-6-15(7-5-14)25-9-2-10-32(25,28)29/h3-8,11,20H,2,9-10,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyBBGWQYNDHSYWEI-UHFFFAOYSA-N
MW469.47 g/mol
LogP2.20
Rot. Bonds8

About 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 42487439) has the molecular formula C20H21F2N3O6S and a molecular weight of 469.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID42487439
Molecular FormulaC20H21F2N3O6S
Molecular Weight469.47 g/mol
Exact Mass469.11
IUPAC Name4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OC(F)F
InChIInChI=1S/C20H21F2N3O6S/c1-30-17-11-13(3-8-16(17)31-20(21)22)19(27)23-12-18(26)24-14-4-6-15(7-5-14)25-9-2-10-32(25,28)29/h3-8,11,20H,2,9-10,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyBBGWQYNDHSYWEI-UHFFFAOYSA-N
XLogP2.20
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.47
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26499038
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 41483297
N-[2-(difluoromethoxy)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246339
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-methylbenzamide
CID 55612233
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 27739745

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide (CID 42487439) is 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is BBGWQYNDHSYWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O6S/c1-30-17-11-13(3-8-16(17)31-20(21)22)19(27)23-12-18(26)24-14-4-6-15(7-5-14)25-9-2-10-32(25,28)29/h3-8,11,20H,2,9-10,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 469.47 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 42487439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).