N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide

C18H20F2N2O3S — CID 9105236

IUPACN-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
SMILESCOc1cc(C)c(NCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C18H20F2N2O3S/c1-11-8-15(24-2)16(25-3)9-14(11)21-10-17(23)22-12-4-6-13(7-5-12)26-18(19)20/h4-9,18,21H,10H2,1-3H3,(H,22,23)
InChIKeyFMRRODNBQGBEGX-UHFFFAOYSA-N
MW382.43 g/mol
LogP4.38
Rot. Bonds8

About N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide

N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide (PubChem CID 9105236) has the molecular formula C18H20F2N2O3S and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
PubChem CID9105236
Molecular FormulaC18H20F2N2O3S
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC NameN-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide
SMILESCOc1cc(C)c(NCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC
InChIInChI=1S/C18H20F2N2O3S/c1-11-8-15(24-2)16(25-3)9-14(11)21-10-17(23)22-12-4-6-13(7-5-12)26-18(19)20/h4-9,18,21H,10H2,1-3H3,(H,22,23)
InChIKeyFMRRODNBQGBEGX-UHFFFAOYSA-N
XLogP4.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
2-(4,5-dimethoxy-2-methylanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9105343
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methyl-5-nitroanilino)acetamide
CID 9081598
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluoroanilino)acetamide
CID 9099106
N-[4-(difluoromethylsulfanyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 2095031
2-(2-chloroanilino)-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 9098703
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119669013
2-(4,5-dimethoxy-2-methylanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 9105392
N-[4-(difluoromethylsulfanyl)phenyl]-3,3-dimethylbutanamide
CID 112759140
N-[4-(difluoromethylsulfanyl)phenyl]-4-ethoxy-3-methoxybenzamide
CID 26908446
N-[4-(difluoromethylsulfanyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4024378
N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The IUPAC name of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide (CID 9105236) is N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide.
What is the SMILES notation for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The canonical SMILES for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide is COc1cc(C)c(NCC(=O)Nc2ccc(SC(F)F)cc2)cc1OC.
What is the InChIKey of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide?
The InChIKey is FMRRODNBQGBEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O3S/c1-11-8-15(24-2)16(25-3)9-14(11)21-10-17(23)22-12-4-6-13(7-5-12)26-18(19)20/h4-9,18,21H,10H2,1-3H3,(H,22,23).
What are the key properties of N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide?
N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide has a molecular weight of 382.43 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfanyl)phenyl]-2-(4,5-dimethoxy-2-methylanilino)acetamide is sourced from PubChem (CID 9105236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).