4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide

C20H27NO4S — CID 25467365

IUPAC4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27NO4S/c1-5-15(2)17-7-9-18(10-8-17)26(22,23)21-13-12-16-6-11-19(24-3)20(14-16)25-4/h6-11,14-15,21H,5,12-13H2,1-4H3/t15-/m1/s1
InChIKeyWQKFNMSNRBBHQR-OAHLLOKOSA-N
MW377.51 g/mol
LogP3.74
Rot. Bonds9

About 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide

4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 25467365) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
PubChem CID25467365
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC Name4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H27NO4S/c1-5-15(2)17-7-9-18(10-8-17)26(22,23)21-13-12-16-6-11-19(24-3)20(14-16)25-4/h6-11,14-15,21H,5,12-13H2,1-4H3/t15-/m1/s1
InChIKeyWQKFNMSNRBBHQR-OAHLLOKOSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-butan-2-yl-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 22202165
4-butan-2-yl-N-[2-(2-methoxyphenoxy)ethyl]benzenesulfonamide
CID 55352634
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-[4-[2-(3,4-dimethoxyphenyl)ethylsulfamoyl]phenoxy]-N-[(2R)-pentan-2-yl]acetamide
CID 126247258
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 22201245
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148827
4-amino-N-[2-(4-methoxy-3-pentoxyphenyl)ethyl]benzenesulfonamide
CID 22687456
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 24792691
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 2950024

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide (CID 25467365) is 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide is CC[C@@H](C)c1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is WQKFNMSNRBBHQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-5-15(2)17-7-9-18(10-8-17)26(22,23)21-13-12-16-6-11-19(24-3)20(14-16)25-4/h6-11,14-15,21H,5,12-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide?
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25467365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).