3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C23H28N2O4S — CID 132668421

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)25-11-4-5-12-30(25,27)28/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyXCVZFQKAZJRHTF-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.96
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132668421) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132668421
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)25-11-4-5-12-30(25,27)28/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyXCVZFQKAZJRHTF-UHFFFAOYSA-N
XLogP3.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668424
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
3-(2-methylprop-2-enoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132654747
6-(1,2,4-triazol-4-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)pyridine-3-carboxamide
CID 131904820
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
5-methyl-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125439478
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[1-(4-methylphenyl)ethyl]benzamide
CID 46586730
2-methylsulfanyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132652294

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132668421) is 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is XCVZFQKAZJRHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)25-11-4-5-12-30(25,27)28/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132668421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).