2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide

C21H27NO4S — CID 60533563

IUPAC2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H27NO4S/c1-15(2)26-18-13-11-17(12-14-18)10-9-16(3)22-21(23)19-7-5-6-8-20(19)27(4,24)25/h5-8,11-16H,9-10H2,1-4H3,(H,22,23)
InChIKeyQJSZDFTWGZKNLU-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.63
Rot. Bonds8

About 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide

2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide (PubChem CID 60533563) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
PubChem CID60533563
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
SMILESCC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C21H27NO4S/c1-15(2)26-18-13-11-17(12-14-18)10-9-16(3)22-21(23)19-7-5-6-8-20(19)27(4,24)25/h5-8,11-16H,9-10H2,1-4H3,(H,22,23)
InChIKeyQJSZDFTWGZKNLU-UHFFFAOYSA-N
XLogP3.63
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]-4-propan-2-yloxybenzamide
CID 1263174
2-bromo-N-[(2S)-4-(4-propan-2-yloxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 97223647
2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55892354
2-(methylamino)-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]acetamide
CID 119720978
2-methylsulfonyl-N-pentan-3-ylbenzamide
CID 16625808
N-[(4-methoxyphenyl)methyl]-2-methylsulfonylbenzamide
CID 7959595
2-(methylamino)-5-nitro-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide
CID 55890952
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976561
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210472
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-propan-2-yloxybenzoate
CID 7210474
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The IUPAC name of 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide (CID 60533563) is 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide.
What is the SMILES notation for 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The canonical SMILES for 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide is CC(CCc1ccc(OC(C)C)cc1)NC(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
The InChIKey is QJSZDFTWGZKNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-15(2)26-18-13-11-17(12-14-18)10-9-16(3)22-21(23)19-7-5-6-8-20(19)27(4,24)25/h5-8,11-16H,9-10H2,1-4H3,(H,22,23).
What are the key properties of 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide?
2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide has a molecular weight of 389.52 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]benzamide is sourced from PubChem (CID 60533563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).