N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

C18H23NO3S2 — CID 4792892

IUPACN-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CCSC)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23NO3S2/c1-14-5-6-15(2)18(13-14)24(20,21)19(11-12-23-4)16-7-9-17(22-3)10-8-16/h5-10,13H,11-12H2,1-4H3
InChIKeyQRPWNMHNRKBDSF-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.87
Rot. Bonds7

About N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide

N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 4792892) has the molecular formula C18H23NO3S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID4792892
Molecular FormulaC18H23NO3S2
Molecular Weight365.52 g/mol
Exact Mass365.11
IUPAC NameN-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CCSC)S(=O)(=O)c2cc(C)ccc2C)cc1
InChIInChI=1S/C18H23NO3S2/c1-14-5-6-15(2)18(13-14)24(20,21)19(11-12-23-4)16-7-9-17(22-3)10-8-16/h5-10,13H,11-12H2,1-4H3
InChIKeyQRPWNMHNRKBDSF-UHFFFAOYSA-N
XLogP3.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 8003484
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-prop-2-enylpropanamide
CID 29435894
N-(4-aminophenyl)-N-ethyl-2,5-dimethylbenzenesulfonamide
CID 63234087
N-benzyl-5-fluoro-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 46022824
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
2-(3-chloro-N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)-N-(4-methoxyphenyl)-N-methylacetamide
CID 100797108
3-(N-(2,4-dimethylphenyl)sulfonyl-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 34238896
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401519
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]acetamide
CID 100796932
N-[(4-hydroxyphenyl)methyl]-2,5-dimethyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 22137427
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dimethylanilino)acetic acid
CID 1022049
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 838667

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 4792892) is N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide is COc1ccc(N(CCSC)S(=O)(=O)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is QRPWNMHNRKBDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S2/c1-14-5-6-15(2)18(13-14)24(20,21)19(11-12-23-4)16-7-9-17(22-3)10-8-16/h5-10,13H,11-12H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide?
N-(4-methoxyphenyl)-2,5-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.87, 7 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-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 4792892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).