7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide

C13H20N2O2S — CID 90632439

IUPAC7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide
SMILESCCCNC(=O)N1CCSC(c2ccco2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-6-14-13(16)15-7-5-12(18-10-8-15)11-4-3-9-17-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyWEANGTRHMBPATP-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.88
Rot. Bonds3

About 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide

7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide (PubChem CID 90632439) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound Name7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide
PubChem CID90632439
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide
SMILESCCCNC(=O)N1CCSC(c2ccco2)CC1
InChIInChI=1S/C13H20N2O2S/c1-2-6-14-13(16)15-7-5-12(18-10-8-15)11-4-3-9-17-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,16)
InChIKeyWEANGTRHMBPATP-UHFFFAOYSA-N
XLogP2.88
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide 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

7-(furan-2-yl)-N-(2-phenylethyl)-1,4-thiazepane-4-carboxamide
CID 90632406
N-[2-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-oxoethyl]acetamide
CID 90632280
1-[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-2,2-dimethylpropan-1-one
CID 99878802
1-[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-methoxyethanone
CID 99878807
1-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-3-methylbut-2-en-1-one
CID 90632272
N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-1,4-thiazepane-4-carboxamide
CID 90632425
tert-butyl 7-(furan-2-yl)-1,4-thiazepane-4-carboxylate
CID 90632266
(2-ethylsulfanylphenyl)-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]methanone
CID 99878875
N-[2-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 90632260
[1-[7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-methyl-1-oxopropan-2-yl] acetate
CID 90632335
1-[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone
CID 99878837
1-[(7S)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-2-(2-methylphenoxy)ethanone
CID 99878838

Frequently Asked Questions

What is the IUPAC name of 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide?
The IUPAC name of 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide (CID 90632439) is 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide?
The canonical SMILES for 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide is CCCNC(=O)N1CCSC(c2ccco2)CC1.
What is the InChIKey of 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide?
The InChIKey is WEANGTRHMBPATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-6-14-13(16)15-7-5-12(18-10-8-15)11-4-3-9-17-11/h3-4,9,12H,2,5-8,10H2,1H3,(H,14,16).
What are the key properties of 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide?
7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(furan-2-yl)-N-propyl-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 90632439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).