2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

C22H29N3O5S — CID 132674188

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C22H29N3O5S/c1-22(2)14-19(18-12-11-17(29-5)13-20(18)30-22)23-21(26)15-25(31(27,28)24(3)4)16-9-7-6-8-10-16/h6-13,19H,14-15H2,1-5H3,(H,23,26)
InChIKeyRHWHVZNKDCCGRQ-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.73
Rot. Bonds7

About 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 132674188) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID132674188
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)CC2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C22H29N3O5S/c1-22(2)14-19(18-12-11-17(29-5)13-20(18)30-22)23-21(26)15-25(31(27,28)24(3)4)16-9-7-6-8-10-16/h6-13,19H,14-15H2,1-5H3,(H,23,26)
InChIKeyRHWHVZNKDCCGRQ-UHFFFAOYSA-N
XLogP2.73
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(N-methylsulfonylanilino)butanamide
CID 132673857
2-(4-tert-butyl-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899296
2-(4-ethoxy-N-methylsulfonylanilino)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43895641
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-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901579
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43891889
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43892477
2-[benzenesulfonyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43899156
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-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43893085
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)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 132674188) is 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is COc1ccc2c(c1)OC(C)(C)CC2NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is RHWHVZNKDCCGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-22(2)14-19(18-12-11-17(29-5)13-20(18)30-22)23-21(26)15-25(31(27,28)24(3)4)16-9-7-6-8-10-16/h6-13,19H,14-15H2,1-5H3,(H,23,26).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 447.56 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 132674188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).