N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

C20H25NO4S — CID 8003484

IUPACN-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(C[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO4S/c1-15-6-7-16(2)20(13-15)26(22,23)21(14-19-5-4-12-25-19)17-8-10-18(24-3)11-9-17/h6-11,13,19H,4-5,12,14H2,1-3H3/t19-/m0/s1
InChIKeyFYQPYAOQKNCUQS-IBGZPJMESA-N
MW375.49 g/mol
LogP3.69
Rot. Bonds6

About N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide

N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 8003484) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID8003484
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC NameN-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESCOc1ccc(N(C[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO4S/c1-15-6-7-16(2)20(13-15)26(22,23)21(14-19-5-4-12-25-19)17-8-10-18(24-3)11-9-17/h6-11,13,19H,4-5,12,14H2,1-3H3/t19-/m0/s1
InChIKeyFYQPYAOQKNCUQS-IBGZPJMESA-N
XLogP3.69
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 4792892
N,2,5-trimethyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 110604914
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1168870
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 133255030
N-(oxolan-2-ylmethyl)-N-phenylbenzenesulfonamide
CID 110753053
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
2,5-dimethyl-N-(oxolan-2-ylmethyl)-N-(2-piperazin-1-ylsulfonylethyl)benzenesulfonamide
CID 20971340
2-(4-methoxy-N-methylsulfonylanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 815924
2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 94073807
2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 94073808
2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 2898535

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide (CID 8003484) is N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is COc1ccc(N(C[C@@H]2CCCO2)S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is FYQPYAOQKNCUQS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25NO4S/c1-15-6-7-16(2)20(13-15)26(22,23)21(14-19-5-4-12-25-19)17-8-10-18(24-3)11-9-17/h6-11,13,19H,4-5,12,14H2,1-3H3/t19-/m0/s1.
What are the key properties of N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide?
N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 375.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 8003484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).