2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

C27H31FN2O3S — CID 30401203

IUPAC2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2F)cc1
InChIInChI=1S/C27H31FN2O3S/c1-18-10-12-24(13-11-18)34(32,33)30(16-23-8-6-7-9-26(23)28)17-27(31)29-22(5)25-15-20(3)19(2)14-21(25)4/h6-15,22H,16-17H2,1-5H3,(H,29,31)/t22-/m1/s1
InChIKeyTYKUUBSSWFMZEM-JOCHJYFZSA-N
MW482.62 g/mol
LogP5.13
Rot. Bonds8

About 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 30401203) has the molecular formula C27H31FN2O3S and a molecular weight of 482.62 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
PubChem CID30401203
Molecular FormulaC27H31FN2O3S
Molecular Weight482.62 g/mol
Exact Mass482.20
IUPAC Name2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2F)cc1
InChIInChI=1S/C27H31FN2O3S/c1-18-10-12-24(13-11-18)34(32,33)30(16-23-8-6-7-9-26(23)28)17-27(31)29-22(5)25-15-20(3)19(2)14-21(25)4/h6-15,22H,16-17H2,1-5H3,(H,29,31)/t22-/m1/s1
InChIKeyTYKUUBSSWFMZEM-JOCHJYFZSA-N
XLogP5.13
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545114
2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864272
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401156
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401279
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 28545135
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864271
2-[(2-chloro-6-fluorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864265
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43871953
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28545049
2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 133217749
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 94864256
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906147

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 30401203) is 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C)c2cc(C)c(C)cc2C)Cc2ccccc2F)cc1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
The InChIKey is TYKUUBSSWFMZEM-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H31FN2O3S/c1-18-10-12-24(13-11-18)34(32,33)30(16-23-8-6-7-9-26(23)28)17-27(31)29-22(5)25-15-20(3)19(2)14-21(25)4/h6-15,22H,16-17H2,1-5H3,(H,29,31)/t22-/m1/s1.
What are the key properties of 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide?
2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 482.62 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 30401203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).