N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide

C24H27F4NO4S — CID 147249645

IUPACN-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide
SMILESCOC(c1ccc(C(=O)NCc2ccc(S(=O)(=O)CC3CC3)cc2)cc1)(C(C)(F)F)C(C)(F)F
InChIInChI=1S/C24H27F4NO4S/c1-22(25,26)24(33-3,23(2,27)28)19-10-8-18(9-11-19)21(30)29-14-16-6-12-20(13-7-16)34(31,32)15-17-4-5-17/h6-13,17H,4-5,14-15H2,1-3H3,(H,29,30)
InChIKeyCMKXAOBMAKMYKS-UHFFFAOYSA-N
MW501.54 g/mol
LogP4.95
Rot. Bonds10

About N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide

N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide (PubChem CID 147249645) has the molecular formula C24H27F4NO4S and a molecular weight of 501.54 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide
PubChem CID147249645
Molecular FormulaC24H27F4NO4S
Molecular Weight501.54 g/mol
Exact Mass501.16
IUPAC NameN-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide
SMILESCOC(c1ccc(C(=O)NCc2ccc(S(=O)(=O)CC3CC3)cc2)cc1)(C(C)(F)F)C(C)(F)F
InChIInChI=1S/C24H27F4NO4S/c1-22(25,26)24(33-3,23(2,27)28)19-10-8-18(9-11-19)21(30)29-14-16-6-12-20(13-7-16)34(31,32)15-17-4-5-17/h6-13,17H,4-5,14-15H2,1-3H3,(H,29,30)
InChIKeyCMKXAOBMAKMYKS-UHFFFAOYSA-N
XLogP4.95
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 126522242
1-cyclopentyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432922
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 126522294
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
N-[(4-ethylsulfonylphenyl)methyl]-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]isoquinoline-6-carboxamide
CID 146193462
4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
4-ethyl-N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]benzamide
CID 119048571
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
3-[N-acetyl-4-(cyclopropylmethylsulfonyl)anilino]-N-benzylbenzamide
CID 175171229
4-[cyclohexyl(methyl)sulfamoyl]-N-[[4-(2-methoxyethoxy)phenyl]methyl]benzamide
CID 46485483
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-[(4-ethylsulfonylphenyl)methyl]-4-[(2S)-2-(fluoromethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]benzamide
CID 146298327

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide?
The IUPAC name of N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide (CID 147249645) is N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide.
What is the SMILES notation for N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide?
The canonical SMILES for N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide is COC(c1ccc(C(=O)NCc2ccc(S(=O)(=O)CC3CC3)cc2)cc1)(C(C)(F)F)C(C)(F)F.
What is the InChIKey of N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide?
The InChIKey is CMKXAOBMAKMYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4NO4S/c1-22(25,26)24(33-3,23(2,27)28)19-10-8-18(9-11-19)21(30)29-14-16-6-12-20(13-7-16)34(31,32)15-17-4-5-17/h6-13,17H,4-5,14-15H2,1-3H3,(H,29,30).
What are the key properties of N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide?
N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide has a molecular weight of 501.54 g/mol, XLogP of 4.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethylsulfonyl)phenyl]methyl]-4-(2,2,4,4-tetrafluoro-3-methoxypentan-3-yl)benzamide is sourced from PubChem (CID 147249645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).