N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C24H32N2O6S — CID 43901579

IUPACN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O6S/c1-6-13-31-18-9-7-17(8-10-18)26(33(5,28)29)16-23(27)25-21-15-24(2,3)32-22-14-19(30-4)11-12-20(21)22/h7-12,14,21H,6,13,15-16H2,1-5H3,(H,25,27)
InChIKeyKLCXUIQJIZGEFL-UHFFFAOYSA-N
MW476.60 g/mol
LogP3.67
Rot. Bonds9

About N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 43901579) has the molecular formula C24H32N2O6S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID43901579
Molecular FormulaC24H32N2O6S
Molecular Weight476.60 g/mol
Exact Mass476.20
IUPAC NameN-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)NC2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)cc1
InChIInChI=1S/C24H32N2O6S/c1-6-13-31-18-9-7-17(8-10-18)26(33(5,28)29)16-23(27)25-21-15-24(2,3)32-22-14-19(30-4)11-12-20(21)22/h7-12,14,21H,6,13,15-16H2,1-5H3,(H,25,27)
InChIKeyKLCXUIQJIZGEFL-UHFFFAOYSA-N
XLogP3.67
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxy-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895641
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899296
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899188
2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132674188
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43897063
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895735
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
2-(N-methylsulfonyl-4-phenoxyanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896181
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(N-methylsulfonylanilino)butanamide
CID 132673857
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895703
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892477

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 43901579) is N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)NC2CC(C)(C)Oc3cc(OC)ccc32)S(C)(=O)=O)cc1.
What is the InChIKey of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is KLCXUIQJIZGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O6S/c1-6-13-31-18-9-7-17(8-10-18)26(33(5,28)29)16-23(27)25-21-15-24(2,3)32-22-14-19(30-4)11-12-20(21)22/h7-12,14,21H,6,13,15-16H2,1-5H3,(H,25,27).
What are the key properties of N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 476.60 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 43901579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).