N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

C22H24F2N2O6S — CID 167793048

IUPACN-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O6S/c1-31-19-11-16(7-8-18(19)32-22(23)24)21(28)25-12-20(27)26(13-15-5-3-2-4-6-15)17-9-10-33(29,30)14-17/h2-8,11,17,22H,9-10,12-14H2,1H3,(H,25,28)
InChIKeyFYQJKXWDPNPWJA-UHFFFAOYSA-N
MW482.51 g/mol
LogP2.24
Rot. Bonds9

About N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 167793048) has the molecular formula C22H24F2N2O6S and a molecular weight of 482.51 g/mol. Its IUPAC name is N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID167793048
Molecular FormulaC22H24F2N2O6S
Molecular Weight482.51 g/mol
Exact Mass482.13
IUPAC NameN-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)ccc1OC(F)F
InChIInChI=1S/C22H24F2N2O6S/c1-31-19-11-16(7-8-18(19)32-22(23)24)21(28)25-12-20(27)26(13-15-5-3-2-4-6-15)17-9-10-33(29,30)14-17/h2-8,11,17,22H,9-10,12-14H2,1H3,(H,25,28)
InChIKeyFYQJKXWDPNPWJA-UHFFFAOYSA-N
XLogP2.24
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide with MolForge

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Related Compounds

N-benzyl-3-(difluoromethoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 8781850
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
4-(difluoromethoxy)-N-[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31235284
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
CID 16606789
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 3360229
4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
CID 55952260
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-ethoxybenzamide
CID 3781046
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-ethoxybenzamide
CID 40871138
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7198186
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-fluorobenzamide
CID 7123351
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7493477

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 167793048) is N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)N(Cc2ccccc2)C2CCS(=O)(=O)C2)ccc1OC(F)F.
What is the InChIKey of N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is FYQJKXWDPNPWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O6S/c1-31-19-11-16(7-8-18(19)32-22(23)24)21(28)25-12-20(27)26(13-15-5-3-2-4-6-15)17-9-10-33(29,30)14-17/h2-8,11,17,22H,9-10,12-14H2,1H3,(H,25,28).
What are the key properties of N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 482.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 167793048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).