N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

C22H22N2O4S2 — CID 132672537

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc2O1
InChIInChI=1S/C22H22N2O4S2/c1-22(2)14-18(17-6-3-4-7-19(17)28-22)23-21(25)15-9-11-16(12-10-15)24-30(26,27)20-8-5-13-29-20/h3-13,18,24H,14H2,1-2H3,(H,23,25)
InChIKeyWKJSIHYJSFQFFV-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.58
Rot. Bonds5

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 132672537) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID132672537
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc2O1
InChIInChI=1S/C22H22N2O4S2/c1-22(2)14-18(17-6-3-4-7-19(17)28-22)23-21(25)15-9-11-16(12-10-15)24-30(26,27)20-8-5-13-29-20/h3-13,18,24H,14H2,1-2H3,(H,23,25)
InChIKeyWKJSIHYJSFQFFV-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132670286
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
CID 133203842
N-[(Z)-3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 133186865
N-(1-cyclopropylpiperidin-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide
CID 41269183
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 99589244
N-[5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133187548
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 133219484
N-ethoxy-4-(thiophen-2-ylsulfonylamino)benzamide
CID 17470879
methyl 2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]acetate
CID 8840841

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide (CID 132672537) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is CC1(C)CC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is WKJSIHYJSFQFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-22(2)14-18(17-6-3-4-7-19(17)28-22)23-21(25)15-9-11-16(12-10-15)24-30(26,27)20-8-5-13-29-20/h3-13,18,24H,14H2,1-2H3,(H,23,25).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 442.56 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 132672537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).