N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide

C19H30N2O2S — CID 42707005

IUPACN-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide
SMILESCCCCCCCC(=O)N(Cc1ccsc1)C1CCCCNC1=O
InChIInChI=1S/C19H30N2O2S/c1-2-3-4-5-6-10-18(22)21(14-16-11-13-24-15-16)17-9-7-8-12-20-19(17)23/h11,13,15,17H,2-10,12,14H2,1H3,(H,20,23)
InChIKeyWQEJRJKOUSEHDU-UHFFFAOYSA-N
MW350.53 g/mol
LogP4.11
Rot. Bonds9

About N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide

N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide (PubChem CID 42707005) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide
PubChem CID42707005
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide
SMILESCCCCCCCC(=O)N(Cc1ccsc1)C1CCCCNC1=O
InChIInChI=1S/C19H30N2O2S/c1-2-3-4-5-6-10-18(22)21(14-16-11-13-24-15-16)17-9-7-8-12-20-19(17)23/h11,13,15,17H,2-10,12,14H2,1H3,(H,20,23)
InChIKeyWQEJRJKOUSEHDU-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)propanamide
CID 42707007
N-[(4-ethoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)dodecanamide
CID 42699388
butane;N-(2-oxoazepan-3-yl)-N-[(E)-3-[(Z)-prop-1-enyl]sulfanylprop-2-enyl]heptanamide
CID 143452581
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)propanamide
CID 42699394
3-nonanoylazepan-2-one
CID 21226503
2-[methyl(thiophen-3-ylmethyl)amino]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 94083760
N-(2-oxoazepan-3-yl)-3-phenyl-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 42699992
N-benzyl-2-methyl-N-(2-oxoazepan-3-yl)propanamide
CID 42700000
N-cyclopropyl-2-(2-oxo-1,3-diazinan-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 71936534
N-[(3S)-2-oxoazepan-3-yl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 42210590
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexylheptanamide
CID 42723814
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide (CID 42707005) is N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide is CCCCCCCC(=O)N(Cc1ccsc1)C1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide?
The InChIKey is WQEJRJKOUSEHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-2-3-4-5-6-10-18(22)21(14-16-11-13-24-15-16)17-9-7-8-12-20-19(17)23/h11,13,15,17H,2-10,12,14H2,1H3,(H,20,23).
What are the key properties of N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide?
N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide has a molecular weight of 350.53 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-N-(thiophen-3-ylmethyl)octanamide is sourced from PubChem (CID 42707005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).