3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

C21H26N2O4S — CID 112760521

IUPAC3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-17-9-11-20(12-10-17)28(25,26)23(18-6-3-2-4-7-18)14-13-21(24)22-16-19-8-5-15-27-19/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyIQBTWGADYPYABW-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.88
Rot. Bonds8

About 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide

3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 112760521) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID112760521
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1ccc(S(=O)(=O)N(CCC(=O)NCC2CCCO2)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-17-9-11-20(12-10-17)28(25,26)23(18-6-3-2-4-7-18)14-13-21(24)22-16-19-8-5-15-27-19/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyIQBTWGADYPYABW-UHFFFAOYSA-N
XLogP2.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1357592
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1134632
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1129536
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3143342
2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26815378
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1119935
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 3144112
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2897190
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40565110
3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 113142021
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995

Frequently Asked Questions

What is the IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide (CID 112760521) is 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is Cc1ccc(S(=O)(=O)N(CCC(=O)NCC2CCCO2)c2ccccc2)cc1.
What is the InChIKey of 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is IQBTWGADYPYABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-17-9-11-20(12-10-17)28(25,26)23(18-6-3-2-4-7-18)14-13-21(24)22-16-19-8-5-15-27-19/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24).
What are the key properties of 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide?
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 112760521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).