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

C22H29N3O4S — CID 132669354

IUPAC4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CC(C)(C)O2
InChIInChI=1S/C22H29N3O4S/c1-15-7-12-20-18(13-15)19(14-22(2,3)29-20)23-21(26)16-8-10-17(11-9-16)25(6)30(27,28)24(4)5/h7-13,19H,14H2,1-6H3,(H,23,26)
InChIKeyXVUBGBWQXCKHHP-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.27
Rot. Bonds5

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

4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132669354) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132669354
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)C(NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CC(C)(C)O2
InChIInChI=1S/C22H29N3O4S/c1-15-7-12-20-18(13-15)19(14-22(2,3)29-20)23-21(26)16-8-10-17(11-9-16)25(6)30(27,28)24(4)5/h7-13,19H,14H2,1-6H3,(H,23,26)
InChIKeyXVUBGBWQXCKHHP-UHFFFAOYSA-N
XLogP3.27
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100682281
N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 133231370
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30218964
2-(3-methyl-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132668954
(3S)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95196409
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497

Frequently Asked Questions

What is the IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132669354) is 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide is Cc1ccc2c(c1)C(NC(=O)c1ccc(N(C)S(=O)(=O)N(C)C)cc1)CC(C)(C)O2.
What is the InChIKey of 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is XVUBGBWQXCKHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-15-7-12-20-18(13-15)19(14-22(2,3)29-20)23-21(26)16-8-10-17(11-9-16)25(6)30(27,28)24(4)5/h7-13,19H,14H2,1-6H3,(H,23,26).
What are the key properties of 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132669354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).