4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide

C24H33NO3S — CID 3831515

IUPAC4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C2(CCNS(=O)(=O)c3ccc(C)cc3)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C24H33NO3S/c1-18(2)23-17-24(14-16-28-23,21-9-5-19(3)6-10-21)13-15-25-29(26,27)22-11-7-20(4)8-12-22/h5-12,18,23,25H,13-17H2,1-4H3
InChIKeyIDNUCAKYMLCODK-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.74
Rot. Bonds7

About 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide

4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide (PubChem CID 3831515) has the molecular formula C24H33NO3S and a molecular weight of 415.60 g/mol. Its IUPAC name is 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide
PubChem CID3831515
Molecular FormulaC24H33NO3S
Molecular Weight415.60 g/mol
Exact Mass415.22
IUPAC Name4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(C2(CCNS(=O)(=O)c3ccc(C)cc3)CCOC(C(C)C)C2)cc1
InChIInChI=1S/C24H33NO3S/c1-18(2)23-17-24(14-16-28-23,21-9-5-19(3)6-10-21)13-15-25-29(26,27)22-11-7-20(4)8-12-22/h5-12,18,23,25H,13-17H2,1-4H3
InChIKeyIDNUCAKYMLCODK-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]ethanamine
CID 6851493
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]azanium
CID 6578504
dimethyl-[3-[[2-[(2S,4S)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]acetyl]amino]propyl]azanium
CID 7094232
N-[(2-fluorophenyl)methyl]-N-[2-[(2R,4R)-4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]propanamide
CID 7463562
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]benzenesulfonamide
CID 1076269
4-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 42269303
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 31836630
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
4-methyl-N-[(1S)-1-[(2S)-oxiran-2-yl]ethyl]benzenesulfonamide
CID 10060253

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide (CID 3831515) is 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide is Cc1ccc(C2(CCNS(=O)(=O)c3ccc(C)cc3)CCOC(C(C)C)C2)cc1.
What is the InChIKey of 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide?
The InChIKey is IDNUCAKYMLCODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3S/c1-18(2)23-17-24(14-16-28-23,21-9-5-19(3)6-10-21)13-15-25-29(26,27)22-11-7-20(4)8-12-22/h5-12,18,23,25H,13-17H2,1-4H3.
What are the key properties of 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide?
4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide has a molecular weight of 415.60 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[4-(4-methylphenyl)-2-propan-2-yloxan-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3831515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).