N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide

C18H13N3O2S2 — CID 53182517

IUPACN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C18H13N3O2S2/c1-21-13-7-6-11(20-16(22)14-5-3-9-24-14)10-15(13)25-17-12(18(21)23)4-2-8-19-17/h2-10H,1H3,(H,20,22)
InChIKeyKLSVFJDVXZSSNO-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.14
Rot. Bonds2

About N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide

N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide (PubChem CID 53182517) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
PubChem CID53182517
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
SMILESCN1C(=O)c2cccnc2Sc2cc(NC(=O)c3cccs3)ccc21
InChIInChI=1S/C18H13N3O2S2/c1-21-13-7-6-11(20-16(22)14-5-3-9-24-14)10-15(13)25-17-12(18(21)23)4-2-8-19-17/h2-10H,1H3,(H,20,22)
InChIKeyKLSVFJDVXZSSNO-UHFFFAOYSA-N
XLogP4.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)benzamide
CID 53182583
6-methyl-N-(4-methylphenyl)-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173341
N-(3,4-difluorophenyl)-6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173355
3-methyl-N-(5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide
CID 53182713
N-(4-methyl-5-oxo-1,2-dihydroimidazo[1,2-a]quinazolin-7-yl)thiophene-2-carboxamide
CID 20931862
5-bromo-N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)furan-2-carboxamide
CID 53182593
N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)cyclobutanecarboxamide
CID 53182619
ethyl 2-[(5-methyl-6-oxopyrido[2,3-b][1,4]benzothiazepin-8-yl)amino]-2-oxoacetate
CID 75489563
N-(3,5-dimethoxyphenyl)-5-oxo-6-propan-2-ylpyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
CID 53173476
2-(4-chlorophenoxy)-N-(6-ethyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)acetamide
CID 53182663
N-(1,3-benzoxazol-6-yl)thiophene-2-carboxamide
CID 110728841
5-methyl-6-oxopyrido[2,3-b][1,4]benzothiazepine-9-carboxylic acid
CID 53212083

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide?
The IUPAC name of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide (CID 53182517) is N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide is CN1C(=O)c2cccnc2Sc2cc(NC(=O)c3cccs3)ccc21.
What is the InChIKey of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide?
The InChIKey is KLSVFJDVXZSSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c1-21-13-7-6-11(20-16(22)14-5-3-9-24-14)10-15(13)25-17-12(18(21)23)4-2-8-19-17/h2-10H,1H3,(H,20,22).
What are the key properties of N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide?
N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide has a molecular weight of 367.46 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-5-oxopyrido[2,3-b][1,5]benzothiazepin-9-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53182517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).