3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide

C19H32N2O3S — CID 25395916

IUPAC3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide
SMILESCC[C@H](C)c1ccc([C@@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1
InChIInChI=1S/C19H32N2O3S/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)21-11-13-25(23,24)12-10-18(20)22/h6-9,14-15,19,21H,5,10-13H2,1-4H3,(H2,20,22)/t15-,19-/m0/s1
InChIKeyAMFZUOBEUNSXHP-KXBFYZLASA-N
MW368.54 g/mol
LogP2.78
Rot. Bonds11

About 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide

3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide (PubChem CID 25395916) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide
PubChem CID25395916
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide
SMILESCC[C@H](C)c1ccc([C@@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1
InChIInChI=1S/C19H32N2O3S/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)21-11-13-25(23,24)12-10-18(20)22/h6-9,14-15,19,21H,5,10-13H2,1-4H3,(H2,20,22)/t15-,19-/m0/s1
InChIKeyAMFZUOBEUNSXHP-KXBFYZLASA-N
XLogP2.78
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]ethylsulfonyl]propanamide
CID 43011312
2-amino-N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119272761
2-[2-(3-amino-3-oxopropyl)sulfonylethylamino]pentanoic acid
CID 43631516
2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8834223
N-[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 51937630
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 8834658
1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
CID 25469814
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 8834502
3-[(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 43234771
3-[(4-butan-2-ylphenyl)sulfamoyl]propanoic acid
CID 43704683

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide (CID 25395916) is 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide is CC[C@H](C)c1ccc([C@@H](NCCS(=O)(=O)CCC(N)=O)C(C)C)cc1.
What is the InChIKey of 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide?
The InChIKey is AMFZUOBEUNSXHP-KXBFYZLASA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-5-15(4)16-6-8-17(9-7-16)19(14(2)3)21-11-13-25(23,24)12-10-18(20)22/h6-9,14-15,19,21H,5,10-13H2,1-4H3,(H2,20,22)/t15-,19-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide?
3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide has a molecular weight of 368.54 g/mol, XLogP of 2.78, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]amino]ethylsulfonyl]propanamide is sourced from PubChem (CID 25395916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).