N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

C18H20ClFN2O3S — CID 46591314

IUPACN-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-13(14-5-4-6-15(19)11-14)22(3)18(23)12-21(2)26(24,25)17-9-7-16(20)8-10-17/h4-11,13H,12H2,1-3H3
InChIKeyGICOJAIRNIBPNO-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 46591314) has the molecular formula C18H20ClFN2O3S and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID46591314
Molecular FormulaC18H20ClFN2O3S
Molecular Weight398.89 g/mol
Exact Mass398.09
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H20ClFN2O3S/c1-13(14-5-4-6-15(19)11-14)22(3)18(23)12-21(2)26(24,25)17-9-7-16(20)8-10-17/h4-11,13H,12H2,1-3H3
InChIKeyGICOJAIRNIBPNO-UHFFFAOYSA-N
XLogP3.32
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 46588668
N-[1-(3-chlorophenyl)ethyl]-3-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 55595194
N-[2-(3-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27446833
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)butanamide
CID 51188184
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[1-(3-nitrophenyl)ethyl]butanamide
CID 46457472
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 43022013
5-amino-N-[1-(3-chlorophenyl)ethyl]-N,4-dimethylpentanamide
CID 82012505
2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]-methylamino]acetic acid
CID 62983892
4-bromo-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61068098
5-[1-(3-chlorophenyl)ethyl-methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62935268
ethyl 2-[1-(3-chlorophenyl)ethyl-methylamino]-2-oxoacetate
CID 62979257
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9410067

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 46591314) is N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is CC(c1cccc(Cl)c1)N(C)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is GICOJAIRNIBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O3S/c1-13(14-5-4-6-15(19)11-14)22(3)18(23)12-21(2)26(24,25)17-9-7-16(20)8-10-17/h4-11,13H,12H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 398.89 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 46591314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).