2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide

C22H30N2O3S — CID 8923977

IUPAC2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(C)c1ccc([C@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)23-14-21(25)24-19-7-6-8-20(13-19)28(5,26)27/h6-13,15-16,22-23H,14H2,1-5H3,(H,24,25)/t22-/m1/s1
InChIKeyOXRQCMUNJPDICB-JOCHJYFZSA-N
MW402.56 g/mol
LogP4.14
Rot. Bonds8

About 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide

2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide (PubChem CID 8923977) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
PubChem CID8923977
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC Name2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
SMILESCC(C)c1ccc([C@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1
InChIInChI=1S/C22H30N2O3S/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)23-14-21(25)24-19-7-6-8-20(13-19)28(5,26)27/h6-13,15-16,22-23H,14H2,1-5H3,(H,24,25)/t22-/m1/s1
InChIKeyOXRQCMUNJPDICB-JOCHJYFZSA-N
XLogP4.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 54.14
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
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
N-ethyl-3-[[2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetyl]amino]benzamide
CID 8923917
N-(3-acetamidophenyl)-2-[(2-methyl-1-phenylpropyl)amino]acetamide
CID 86909136
N-(3-methylsulfonylphenyl)-3-(propan-2-ylamino)propanamide
CID 54862201
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]-N-(3-methylphenyl)acetamide
CID 9133292
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-(ethylamino)-N-(3-methylsulfonylphenyl)acetamide
CID 60673121
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
2,2-dimethyl-N-[2-(3-methylsulfonylanilino)-2-oxoethyl]propanamide
CID 134013213
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide (CID 8923977) is 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide is CC(C)c1ccc([C@H](NCC(=O)Nc2cccc(S(C)(=O)=O)c2)C(C)C)cc1.
What is the InChIKey of 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
The InChIKey is OXRQCMUNJPDICB-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-15(2)17-9-11-18(12-10-17)22(16(3)4)23-14-21(25)24-19-7-6-8-20(13-19)28(5,26)27/h6-13,15-16,22-23H,14H2,1-5H3,(H,24,25)/t22-/m1/s1.
What are the key properties of 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide?
2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide has a molecular weight of 402.56 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8923977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).