N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide

C16H20N2O2S — CID 46260569

IUPACN-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)NC2CC2)c2ccccc2S1
InChIInChI=1S/C16H20N2O2S/c1-16(2)9-15(20)18(10-14(19)17-11-7-8-11)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyGIRHGNDHWZSKEY-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.57
Rot. Bonds3

About N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide

N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide (PubChem CID 46260569) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide
PubChem CID46260569
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC NameN-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide
SMILESCC1(C)CC(=O)N(CC(=O)NC2CC2)c2ccccc2S1
InChIInChI=1S/C16H20N2O2S/c1-16(2)9-15(20)18(10-14(19)17-11-7-8-11)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19)
InChIKeyGIRHGNDHWZSKEY-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide 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

2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)-N-[2-(4-methylphenyl)ethyl]acetamide
CID 3675903
N-cyclohexyl-2-(2-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide
CID 20878098
N-cyclohexyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide
CID 122176139
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 95632580
N-cyclopropyl-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)acetamide
CID 46341018
N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686333
2-cyano-N-cyclopropyl-3-oxo-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 71940186
N-cyclopropyl-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide
CID 42786222
2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanoic acid
CID 20887502
2-(3-amino-2-oxo-3H-indol-1-yl)-N-cyclohexylacetamide
CID 43255031
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18146133
N-(4-aminocyclohexyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 119477416

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide (CID 46260569) is N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide is CC1(C)CC(=O)N(CC(=O)NC2CC2)c2ccccc2S1.
What is the InChIKey of N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide?
The InChIKey is GIRHGNDHWZSKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2)9-15(20)18(10-14(19)17-11-7-8-11)12-5-3-4-6-13(12)21-16/h3-6,11H,7-10H2,1-2H3,(H,17,19).
What are the key properties of N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide?
N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide has a molecular weight of 304.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)acetamide is sourced from PubChem (CID 46260569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).