N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide

C13H17N3O3S — CID 62898126

IUPACN-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCCNC(=O)C1)C(=O)c1cccs1
InChIInChI=1S/C13H17N3O3S/c1-15(13(19)10-4-2-7-20-10)9-12(18)16-6-3-5-14-11(17)8-16/h2,4,7H,3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyVMFGLARUJQVSDV-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.17
Rot. Bonds3

About N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 62898126) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID62898126
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
SMILESCN(CC(=O)N1CCCNC(=O)C1)C(=O)c1cccs1
InChIInChI=1S/C13H17N3O3S/c1-15(13(19)10-4-2-7-20-10)9-12(18)16-6-3-5-14-11(17)8-16/h2,4,7H,3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyVMFGLARUJQVSDV-UHFFFAOYSA-N
XLogP0.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide (CID 62898126) is N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide is CN(CC(=O)N1CCCNC(=O)C1)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is VMFGLARUJQVSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-15(13(19)10-4-2-7-20-10)9-12(18)16-6-3-5-14-11(17)8-16/h2,4,7H,3,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 62898126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).