N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide

C17H17NO3S — CID 3066363

IUPACN,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide
SMILESCN(C)C(=O)C1c2ccccc2-c2ccccc2CS1(=O)=O
InChIInChI=1S/C17H17NO3S/c1-18(2)17(19)16-15-10-6-5-9-14(15)13-8-4-3-7-12(13)11-22(16,20)21/h3-10,16H,11H2,1-2H3
InChIKeyZTYDDYSLKHCUNY-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.41
Rot. Bonds1

About N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide

N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide (PubChem CID 3066363) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide
PubChem CID3066363
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC NameN,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide
SMILESCN(C)C(=O)C1c2ccccc2-c2ccccc2CS1(=O)=O
InChIInChI=1S/C17H17NO3S/c1-18(2)17(19)16-15-10-6-5-9-14(15)13-8-4-3-7-12(13)11-22(16,20)21/h3-10,16H,11H2,1-2H3
InChIKeyZTYDDYSLKHCUNY-UHFFFAOYSA-N
XLogP2.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide?
The IUPAC name of N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide (CID 3066363) is N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide is CN(C)C(=O)C1c2ccccc2-c2ccccc2CS1(=O)=O.
What is the InChIKey of N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide?
The InChIKey is ZTYDDYSLKHCUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3S/c1-18(2)17(19)16-15-10-6-5-9-14(15)13-8-4-3-7-12(13)11-22(16,20)21/h3-10,16H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide?
N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6,6-dioxo-5,7-dihydrobenzo[d][2]benzothiepine-5-carboxamide is sourced from PubChem (CID 3066363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).