N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

C26H34N2O6S — CID 133228268

IUPACN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc2c(c1)C(NC(=O)CCc1cc(S(=O)(=O)N3CCCC3)ccc1OC)CC(C)(C)O2
InChIInChI=1S/C26H34N2O6S/c1-26(2)17-22(21-16-19(32-3)8-10-24(21)34-26)27-25(29)12-7-18-15-20(9-11-23(18)33-4)35(30,31)28-13-5-6-14-28/h8-11,15-16,22H,5-7,12-14,17H2,1-4H3,(H,27,29)
InChIKeySRGFDIFOLCKQJL-UHFFFAOYSA-N
MW502.63 g/mol
LogP3.84
Rot. Bonds8

About N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 133228268) has the molecular formula C26H34N2O6S and a molecular weight of 502.63 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID133228268
Molecular FormulaC26H34N2O6S
Molecular Weight502.63 g/mol
Exact Mass502.21
IUPAC NameN-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCOc1ccc2c(c1)C(NC(=O)CCc1cc(S(=O)(=O)N3CCCC3)ccc1OC)CC(C)(C)O2
InChIInChI=1S/C26H34N2O6S/c1-26(2)17-22(21-16-19(32-3)8-10-24(21)34-26)27-25(29)12-7-18-15-20(9-11-23(18)33-4)35(30,31)28-13-5-6-14-28/h8-11,15-16,22H,5-7,12-14,17H2,1-4H3,(H,27,29)
InChIKeySRGFDIFOLCKQJL-UHFFFAOYSA-N
XLogP3.84
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.63
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133200026
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylpropanamide
CID 133199771
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100676288
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895735
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656849
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CID 100603694
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100561481
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43898180
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 133228268) is N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is COc1ccc2c(c1)C(NC(=O)CCc1cc(S(=O)(=O)N3CCCC3)ccc1OC)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SRGFDIFOLCKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O6S/c1-26(2)17-22(21-16-19(32-3)8-10-24(21)34-26)27-25(29)12-7-18-15-20(9-11-23(18)33-4)35(30,31)28-13-5-6-14-28/h8-11,15-16,22H,5-7,12-14,17H2,1-4H3,(H,27,29).
What are the key properties of N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 502.63 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 133228268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).