2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide

C27H31FN2O5S — CID 30152333

IUPAC2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C27H31FN2O5S/c1-19(14-15-20-10-6-5-7-11-20)29-27(31)22-16-25(34-2)26(35-3)17-24(22)30(36(4,32)33)18-21-12-8-9-13-23(21)28/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,31)/t19-/m0/s1
InChIKeyNHLXEEZUNQQMSO-IBGZPJMESA-N
MW514.62 g/mol
LogP4.56
Rot. Bonds11

About 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide (PubChem CID 30152333) has the molecular formula C27H31FN2O5S and a molecular weight of 514.62 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
PubChem CID30152333
Molecular FormulaC27H31FN2O5S
Molecular Weight514.62 g/mol
Exact Mass514.19
IUPAC Name2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC
InChIInChI=1S/C27H31FN2O5S/c1-19(14-15-20-10-6-5-7-11-20)29-27(31)22-16-25(34-2)26(35-3)17-24(22)30(36(4,32)33)18-21-12-8-9-13-23(21)28/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,31)/t19-/m0/s1
InChIKeyNHLXEEZUNQQMSO-IBGZPJMESA-N
XLogP4.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2R)-1-methoxypropan-2-yl]benzamide
CID 30152346
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 43889469
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 30151941
N-(4-acetamidophenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152189
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 30152034
N-(4-ethylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152029
methyl 2-[[2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzoyl]amino]-4,5-dimethoxybenzoate
CID 43889533
N-(3-chloro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152157
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethoxybenzamide
CID 30151241
N-(4-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152072
N-(1,3-benzodioxol-5-yl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 30152134
N-(5-chloro-2-phenoxyphenyl)-2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxybenzamide
CID 43889527

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide (CID 30152333) is 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide is COc1cc(C(=O)N[C@@H](C)CCc2ccccc2)c(N(Cc2ccccc2F)S(C)(=O)=O)cc1OC.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide?
The InChIKey is NHLXEEZUNQQMSO-IBGZPJMESA-N. The full InChI is InChI=1S/C27H31FN2O5S/c1-19(14-15-20-10-6-5-7-11-20)29-27(31)22-16-25(34-2)26(35-3)17-24(22)30(36(4,32)33)18-21-12-8-9-13-23(21)28/h5-13,16-17,19H,14-15,18H2,1-4H3,(H,29,31)/t19-/m0/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide?
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide has a molecular weight of 514.62 g/mol, XLogP of 4.56, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylsulfonylamino]-4,5-dimethoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide is sourced from PubChem (CID 30152333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).