4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide

C23H30N2O4S — CID 132668969

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2
InChIInChI=1S/C23H30N2O4S/c1-17-12-13-21-19(15-17)20(16-23(2,3)29-21)24-22(26)11-8-14-25(4)30(27,28)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,8,11,14,16H2,1-4H3,(H,24,26)
InChIKeyKWZYCYBXEGDORP-UHFFFAOYSA-N
MW430.57 g/mol
LogP3.81
Rot. Bonds7

About 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide

4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide (PubChem CID 132668969) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
PubChem CID132668969
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2
InChIInChI=1S/C23H30N2O4S/c1-17-12-13-21-19(15-17)20(16-23(2,3)29-21)24-22(26)11-8-14-25(4)30(27,28)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,8,11,14,16H2,1-4H3,(H,24,26)
InChIKeyKWZYCYBXEGDORP-UHFFFAOYSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 124569374
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132665004
4-(3,4-difluoro-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide
CID 133261945
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892441
2-(2,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893792
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893215
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43894014
3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43898224
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892200

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide (CID 132668969) is 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide is Cc1ccc2c(c1)C(NC(=O)CCCN(C)S(=O)(=O)c1ccccc1)CC(C)(C)O2.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
The InChIKey is KWZYCYBXEGDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-12-13-21-19(15-17)20(16-23(2,3)29-21)24-22(26)11-8-14-25(4)30(27,28)18-9-6-5-7-10-18/h5-7,9-10,12-13,15,20H,8,11,14,16H2,1-4H3,(H,24,26).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide?
4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide has a molecular weight of 430.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)butanamide is sourced from PubChem (CID 132668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).