N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide

C18H24N2O4S — CID 5308808

IUPACN-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H24N2O4S/c1-18(2)11-17(22)20(12-16(21)19-13-7-3-4-8-13)14-9-5-6-10-15(14)25(18,23)24/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,21)
InChIKeyIVDBOFMYRMXHBT-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.03
Rot. Bonds3

About N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide

N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide (PubChem CID 5308808) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide
PubChem CID5308808
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O
InChIInChI=1S/C18H24N2O4S/c1-18(2)11-17(22)20(12-16(21)19-13-7-3-4-8-13)14-9-5-6-10-15(14)25(18,23)24/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,21)
InChIKeyIVDBOFMYRMXHBT-UHFFFAOYSA-N
XLogP2.03
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-N-(2-aminoethyl)-3-phenyl-2-[[2-(1,1,4-trioxo-2,3-dihydro-1lambda6,5-benzothiazepin-5-yl)acetyl]amino]propanamide
CID 11071067
N-{3-[cyclohexyl(methyl)amino]propyl}-2-(2,2-dimethyl-1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
CID 3239303
N-benzyl-2-(1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetamide
CID 3239475
ethyl 4-[(2,2-dimethyl-1,1-dioxido-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetyl]piperazine-1-carboxylate
CID 3244889
2-(1,1,4-triketo-2,2-dimethyl-3H-1,5-benzothiazepin-5-yl)acetic acid
CID 5307718
N-[4-(diethylamino)-2-methylphenyl]-2-(2,2-dimethyl-1,1,4-trioxo-3H-1lambda6,5-benzothiazepin-5-yl)acetamide
CID 5308102
2-(2,2-dimethyl-1,1,4-trioxo-3H-1lambda6,5-benzothiazepin-5-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 5308107
2-(2,2-dimethyl-1,1,4-trioxo-3H-1lambda6,5-benzothiazepin-5-yl)-N-(2-methoxyethyl)acetamide
CID 5308982
N-benzyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1lambda6,5-benzothiazepin-5-yl)acetamide
CID 5309871
2-(1,1-dioxido-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)-N-(4-ethylphenyl)acetamide
CID 20890322
N-(4-ethylphenyl)-2-(2-methyl-1,1-dioxido-4-oxo-3,4-dihydrobenzo[b][1,4]thiazepin-5(2H)-yl)acetamide
CID 20890355
2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[4-[(ethylsulfonylamino)methyl]cyclohexyl]acetamide
CID 56659886

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide (CID 5308808) is N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide is CC1(C)CC(=O)N(CC(=O)NC2CCCC2)c2ccccc2S1(=O)=O.
What is the InChIKey of N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide?
The InChIKey is IVDBOFMYRMXHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-18(2)11-17(22)20(12-16(21)19-13-7-3-4-8-13)14-9-5-6-10-15(14)25(18,23)24/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide?
N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2,2-dimethyl-1,1,4-trioxo-3H-1λ6,5-benzothiazepin-5-yl)acetamide is sourced from PubChem (CID 5308808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).