4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

C15H20N2O2S — CID 32684583

IUPAC4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(c1)NC(=O)CCS2
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-8-16-15(19)11-5-6-13-12(10-11)17-14(18)7-9-20-13/h5-6,10H,2-4,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeySBFHCWMUZKCNAS-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.04
Rot. Bonds5

About 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide (PubChem CID 32684583) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide.

Molecular Properties

Compound Name4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
PubChem CID32684583
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
SMILESCCCCCNC(=O)c1ccc2c(c1)NC(=O)CCS2
InChIInChI=1S/C15H20N2O2S/c1-2-3-4-8-16-15(19)11-5-6-13-12(10-11)17-14(18)7-9-20-13/h5-6,10H,2-4,7-9H2,1H3,(H,16,19)(H,17,18)
InChIKeySBFHCWMUZKCNAS-UHFFFAOYSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(butylamino)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848279
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 17462432
N-[2-(4-fluorophenyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 18159155
N-[(4-methylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 33239051
4-[[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]methyl]benzoic acid
CID 126776671
N-[2-(dimethylamino)-3-methylbutyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 51075834
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
propyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]benzoate
CID 32753148
N-[2-(ethylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119504574
N-[(2S)-1-aminopropan-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide;hydrochloride
CID 120507401
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The IUPAC name of 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide (CID 32684583) is 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide.
What is the SMILES notation for 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The canonical SMILES for 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide is CCCCCNC(=O)c1ccc2c(c1)NC(=O)CCS2.
What is the InChIKey of 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
The InChIKey is SBFHCWMUZKCNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-3-4-8-16-15(19)11-5-6-13-12(10-11)17-14(18)7-9-20-13/h5-6,10H,2-4,7-9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide?
4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-pentyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide is sourced from PubChem (CID 32684583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).