N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C15H18N2O4S — CID 108797791

IUPACN-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)NC3CCS(=O)(=O)C3)ccc2N1
InChIInChI=1S/C15H18N2O4S/c18-14-3-1-2-10-8-11(4-5-13(10)17-14)15(19)16-12-6-7-22(20,21)9-12/h4-5,8,12H,1-3,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyBQDOGHCAGVSERZ-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.88
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108797791) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108797791
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESO=C1CCCc2cc(C(=O)NC3CCS(=O)(=O)C3)ccc2N1
InChIInChI=1S/C15H18N2O4S/c18-14-3-1-2-10-8-11(4-5-13(10)17-14)15(19)16-12-6-7-22(20,21)9-12/h4-5,8,12H,1-3,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyBQDOGHCAGVSERZ-UHFFFAOYSA-N
XLogP0.88
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63922749
N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103605870
N-(3-hydroxypropyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797707
2-oxo-N-[(3S)-piperidin-3-yl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103866615
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318
N-octyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784488
N-[(4S)-1,8-dioxaspiro[4.5]decan-4-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 164640987
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784511
N-[3-(dimethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784514
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
N-(1,1-dioxothiolan-3-yl)-3-hydroxy-4-methylbenzamide
CID 43176544

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108797791) is N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is O=C1CCCc2cc(C(=O)NC3CCS(=O)(=O)C3)ccc2N1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is BQDOGHCAGVSERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c18-14-3-1-2-10-8-11(4-5-13(10)17-14)15(19)16-12-6-7-22(20,21)9-12/h4-5,8,12H,1-3,6-7,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108797791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).