N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide

C22H29NO3S — CID 121254637

IUPACN-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=C/CC(CNS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C22H29NO3S/c1-17(2)20(7-5-6-19-10-12-21(26-4)13-11-19)16-23-27(24,25)22-14-8-18(3)9-15-22/h5-6,8-15,17,20,23H,7,16H2,1-4H3/b6-5+
InChIKeyNXYWYFLWNBFNGE-AATRIKPKSA-N
MW387.55 g/mol
LogP4.66
Rot. Bonds9

About N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide

N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide (PubChem CID 121254637) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
PubChem CID121254637
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC NameN-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=C/CC(CNS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1
InChIInChI=1S/C22H29NO3S/c1-17(2)20(7-5-6-19-10-12-21(26-4)13-11-19)16-23-27(24,25)22-14-8-18(3)9-15-22/h5-6,8-15,17,20,23H,7,16H2,1-4H3/b6-5+
InChIKeyNXYWYFLWNBFNGE-AATRIKPKSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-[(4-methoxyphenyl)methylideneamino]propyl]-4-methylbenzenesulfonamide
CID 41065973
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032651
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
methyl (E,2S,3R)-3-(4-methoxyanilino)-2-[[(4-methylphenyl)sulfonylamino]methyl]-5-phenylpent-4-enoate
CID 102149339
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
N-[2-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]-4-methylbenzenesulfonamide
CID 154718750
N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
3-[(4-methoxyphenyl)sulfonylamino]-2-methylpropanoic acid
CID 54144139
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 24755429
4-methoxy-N-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]benzenesulfonamide
CID 18574221
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide (CID 121254637) is N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide is COc1ccc(/C=C/CC(CNS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1.
What is the InChIKey of N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide?
The InChIKey is NXYWYFLWNBFNGE-AATRIKPKSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-17(2)20(7-5-6-19-10-12-21(26-4)13-11-19)16-23-27(24,25)22-14-8-18(3)9-15-22/h5-6,8-15,17,20,23H,7,16H2,1-4H3/b6-5+.
What are the key properties of N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide?
N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-(4-methoxyphenyl)-2-propan-2-ylpent-4-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 121254637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).