(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide

C21H29NO3S — CID 90624271

IUPAC(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCOC1(CNS(=O)(=O)/C=C/c2ccc(C)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO3S/c1-15-3-5-16(6-4-15)7-8-26(23,24)22-14-21(25-2)19-10-17-9-18(12-19)13-20(21)11-17/h3-8,17-20,22H,9-14H2,1-2H3/b8-7+
InChIKeyUPKVNWXPZCIROZ-BQYQJAHWSA-N
MW375.53 g/mol
LogP3.73
Rot. Bonds6

About (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 90624271) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID90624271
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC Name(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCOC1(CNS(=O)(=O)/C=C/c2ccc(C)cc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H29NO3S/c1-15-3-5-16(6-4-15)7-8-26(23,24)22-14-21(25-2)19-10-17-9-18(12-19)13-20(21)11-17/h3-8,17-20,22H,9-14H2,1-2H3/b8-7+
InChIKeyUPKVNWXPZCIROZ-BQYQJAHWSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-2-adamantyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 90624211
N-[(2-methoxy-2-adamantyl)methyl]-5-methylthiophene-2-sulfonamide
CID 90624207
1-bromo-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
CID 90624203
(E)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(4-methylphenyl)ethenesulfonamide
CID 71796584
(E)-N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-methylphenyl)ethenesulfonamide
CID 71796732
N-cyclohexyl-2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetamide
CID 26534933
(E)-N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90553146
2-chloroprop-2-enyl 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 27278992
N-[(1R,2R)-2-methylcyclohexyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9273061
(E)-N-[4-(2-methoxyphenoxy)but-2-ynyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90575760
3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 7995029
N-(2-methoxy-5-methylphenyl)-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 7602988

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide (CID 90624271) is (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide is COC1(CNS(=O)(=O)/C=C/c2ccc(C)cc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is UPKVNWXPZCIROZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-15-3-5-16(6-4-15)7-8-26(23,24)22-14-21(25-2)19-10-17-9-18(12-19)13-20(21)11-17/h3-8,17-20,22H,9-14H2,1-2H3/b8-7+.
What are the key properties of (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 375.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-methoxy-2-adamantyl)methyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 90624271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).