N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

C22H29FN2O3S — CID 97028049

IUPACN-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1
InChIInChI=1S/C22H29FN2O3S/c1-5-6-16-7-9-17(10-8-16)22(15(2)3)24-14-21(26)25-20-13-18(29(4,27)28)11-12-19(20)23/h7-13,15,22,24H,5-6,14H2,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyPXJVYENODMEHAZ-QFIPXVFZSA-N
MW420.55 g/mol
LogP4.11
Rot. Bonds9

About N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide

N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (PubChem CID 97028049) has the molecular formula C22H29FN2O3S and a molecular weight of 420.55 g/mol. Its IUPAC name is N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
PubChem CID97028049
Molecular FormulaC22H29FN2O3S
Molecular Weight420.55 g/mol
Exact Mass420.19
IUPAC NameN-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1
InChIInChI=1S/C22H29FN2O3S/c1-5-6-16-7-9-17(10-8-16)22(15(2)3)24-14-21(26)25-20-13-18(29(4,27)28)11-12-19(20)23/h7-13,15,22,24H,5-6,14H2,1-4H3,(H,25,26)/t22-/m0/s1
InChIKeyPXJVYENODMEHAZ-QFIPXVFZSA-N
XLogP4.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 97059230
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8998557
N-(2,4-difluorophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991959
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970430
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
N,N-dimethyl-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 78818491
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78818494
2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The IUPAC name of N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide (CID 97028049) is N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is CCCc1ccc([C@@H](NCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)C(C)C)cc1.
What is the InChIKey of N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
The InChIKey is PXJVYENODMEHAZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H29FN2O3S/c1-5-6-16-7-9-17(10-8-16)22(15(2)3)24-14-21(26)25-20-13-18(29(4,27)28)11-12-19(20)23/h7-13,15,22,24H,5-6,14H2,1-4H3,(H,25,26)/t22-/m0/s1.
What are the key properties of N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide?
N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide has a molecular weight of 420.55 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 97028049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).