N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide

C18H19ClF3N3O5S — CID 55606108

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C18H19ClF3N3O5S/c1-24(31(2,28)29)11-17(27)25(9-13-4-3-7-30-13)10-16(26)23-12-5-6-15(19)14(8-12)18(20,21)22/h3-8H,9-11H2,1-2H3,(H,23,26)
InChIKeySAYHSTQLLMQAED-UHFFFAOYSA-N
MW481.88 g/mol
LogP2.81
Rot. Bonds8

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide (PubChem CID 55606108) has the molecular formula C18H19ClF3N3O5S and a molecular weight of 481.88 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
PubChem CID55606108
Molecular FormulaC18H19ClF3N3O5S
Molecular Weight481.88 g/mol
Exact Mass481.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)S(C)(=O)=O
InChIInChI=1S/C18H19ClF3N3O5S/c1-24(31(2,28)29)11-17(27)25(9-13-4-3-7-30-13)10-16(26)23-12-5-6-15(19)14(8-12)18(20,21)22/h3-8H,9-11H2,1-2H3,(H,23,26)
InChIKeySAYHSTQLLMQAED-UHFFFAOYSA-N
XLogP2.81
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.88
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-(furan-2-yl)-N-methylpropanamide
CID 17461594
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 2898694
2-[benzylsulfonyl(methyl)amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 26528259
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 51342561
1-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134945
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 27217285
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1021379
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 1338012
2-[(3-acetylphenyl)sulfonyl-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 17396453
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]acetamide
CID 42936462

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide (CID 55606108) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide is CN(CC(=O)N(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccco1)S(C)(=O)=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide?
The InChIKey is SAYHSTQLLMQAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N3O5S/c1-24(31(2,28)29)11-17(27)25(9-13-4-3-7-30-13)10-16(26)23-12-5-6-15(19)14(8-12)18(20,21)22/h3-8H,9-11H2,1-2H3,(H,23,26).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide has a molecular weight of 481.88 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 55606108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).