4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C24H34N2O4S — CID 42695931

IUPAC4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O4S/c1-24(2,3)21-9-11-22(12-10-21)31(27,28)26(14-13-25-15-17-30-18-16-25)19-20-7-5-6-8-23(20)29-4/h5-12H,13-19H2,1-4H3
InChIKeyFWHLMJHSJFELPY-UHFFFAOYSA-N
MW446.61 g/mol
LogP3.52
Rot. Bonds8

About 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 42695931) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID42695931
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccccc1CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H34N2O4S/c1-24(2,3)21-9-11-22(12-10-21)31(27,28)26(14-13-25-15-17-30-18-16-25)19-20-7-5-6-8-23(20)29-4/h5-12H,13-19H2,1-4H3
InChIKeyFWHLMJHSJFELPY-UHFFFAOYSA-N
XLogP3.52
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
tert-butyl 2-[2-morpholin-4-ylethyl-(4-phenylsulfanylphenyl)sulfonylamino]acetate
CID 54351681
2-[(4-tert-butylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4078302
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 46319215
1-[(2-methoxyphenyl)methyl]-3-(2-methylpropyl)-1-(2-morpholin-4-ylethyl)thiourea
CID 4622864
4-methoxy-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 24850393
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 42698256
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 42695931) is 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccccc1CN(CCN1CCOCC1)S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is FWHLMJHSJFELPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-24(2,3)21-9-11-22(12-10-21)31(27,28)26(14-13-25-15-17-30-18-16-25)19-20-7-5-6-8-23(20)29-4/h5-12H,13-19H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 446.61 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42695931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).