N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide

C20H27NO3S — CID 22204718

IUPACN-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H27NO3S/c1-5-15(3)17-7-9-18(10-8-17)16(4)21-25(22,23)20-13-11-19(12-14-20)24-6-2/h7-16,21H,5-6H2,1-4H3
InChIKeyVXMQVQNPOVCIRL-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.64
Rot. Bonds8

About N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide

N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide (PubChem CID 22204718) has the molecular formula C20H27NO3S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
PubChem CID22204718
Molecular FormulaC20H27NO3S
Molecular Weight361.51 g/mol
Exact Mass361.17
IUPAC NameN-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)CC)cc2)cc1
InChIInChI=1S/C20H27NO3S/c1-5-15(3)17-7-9-18(10-8-17)16(4)21-25(22,23)20-13-11-19(12-14-20)24-6-2/h7-16,21H,5-6H2,1-4H3
InChIKeyVXMQVQNPOVCIRL-UHFFFAOYSA-N
XLogP4.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
4-butan-2-yl-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201321
4-butan-2-yl-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 51249409
4-bromo-N-[1-(4-butan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22204714
4-butan-2-yl-N-[1-(4-tert-butylphenyl)ethyl]benzenesulfonamide
CID 22772316
4-butan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 103854220
4-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 8762877
N-[1-(4-ethoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22204794
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]benzenesulfonamide
CID 74768382
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzenesulfonamide
CID 93486755
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 27511343

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide (CID 22204718) is N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC(C)c2ccc(C(C)CC)cc2)cc1.
What is the InChIKey of N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide?
The InChIKey is VXMQVQNPOVCIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3S/c1-5-15(3)17-7-9-18(10-8-17)16(4)21-25(22,23)20-13-11-19(12-14-20)24-6-2/h7-16,21H,5-6H2,1-4H3.
What are the key properties of N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide?
N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butan-2-ylphenyl)ethyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22204718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).