2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide

C22H30N2O3S — CID 8971206

IUPAC2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-7-17-10-12-18(13-11-17)22(16(2)3)23-15-21(25)24-19-8-6-9-20(14-19)28(4,26)27/h6,8-14,16,22-23H,5,7,15H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeyANAHGHMQNMVJOL-QFIPXVFZSA-N
MW402.56 g/mol
LogP3.97
Rot. Bonds9

About 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide

2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 8971206) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
PubChem CID8971206
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCCCc1ccc([C@@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-5-7-17-10-12-18(13-11-17)22(16(2)3)23-15-21(25)24-19-8-6-9-20(14-19)28(4,26)27/h6,8-14,16,22-23H,5,7,15H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeyANAHGHMQNMVJOL-QFIPXVFZSA-N
XLogP3.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
CID 8998557
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(3-methylsulfonylphenyl)butanamide
CID 37391541
N-(5-acetamido-2-methoxyphenyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8971255
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923917
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide (CID 8971206) is 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide is CCCc1ccc([C@@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is ANAHGHMQNMVJOL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-5-7-17-10-12-18(13-11-17)22(16(2)3)23-15-21(25)24-19-8-6-9-20(14-19)28(4,26)27/h6,8-14,16,22-23H,5,7,15H2,1-4H3,(H,24,25)/t22-/m0/s1.
What are the key properties of 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8971206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).