N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

C17H17N3O3S2 — CID 56718640

IUPACN-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESN#Cc1ccsc1NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H17N3O3S2/c18-11-15-4-7-24-17(15)19-16(21)14-3-1-2-13(10-14)12-20-5-8-25(22,23)9-6-20/h1-4,7,10H,5-6,8-9,12H2,(H,19,21)
InChIKeyMRMUMJAUMDSTJB-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.10
Rot. Bonds4

About N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (PubChem CID 56718640) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
PubChem CID56718640
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESN#Cc1ccsc1NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1
InChIInChI=1S/C17H17N3O3S2/c18-11-15-4-7-24-17(15)19-16(21)14-3-1-2-13(10-14)12-20-5-8-25(22,23)9-6-20/h1-4,7,10H,5-6,8-9,12H2,(H,19,21)
InChIKeyMRMUMJAUMDSTJB-UHFFFAOYSA-N
XLogP2.10
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (CID 56718640) is N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is N#Cc1ccsc1NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The InChIKey is MRMUMJAUMDSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c18-11-15-4-7-24-17(15)19-16(21)14-3-1-2-13(10-14)12-20-5-8-25(22,23)9-6-20/h1-4,7,10H,5-6,8-9,12H2,(H,19,21).
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is sourced from PubChem (CID 56718640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).