N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide

C18H20N2O2S2 — CID 90632575

IUPACN-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCSC(c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C18H20N2O2S2/c21-17(13-19-18(22)14-5-2-1-3-6-14)20-9-8-16(24-12-10-20)15-7-4-11-23-15/h1-7,11,16H,8-10,12-13H2,(H,19,22)
InChIKeyGVWLMEGOKFMJTJ-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.18
Rot. Bonds4

About N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide

N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide (PubChem CID 90632575) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide
PubChem CID90632575
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC NameN-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide
SMILESO=C(NCC(=O)N1CCSC(c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C18H20N2O2S2/c21-17(13-19-18(22)14-5-2-1-3-6-14)20-9-8-16(24-12-10-20)15-7-4-11-23-15/h1-7,11,16H,8-10,12-13H2,(H,19,22)
InChIKeyGVWLMEGOKFMJTJ-UHFFFAOYSA-N
XLogP3.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenyl-1-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethanone
CID 90632738
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-propan-2-yl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90633001
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 26080655
N,N-diethyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90633015
2-(2,4-difluorophenyl)-1-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethanone
CID 90632904
3-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]-1,3-oxazolidin-2-one
CID 90632921
2-(4-propan-2-ylsulfanylphenyl)-1-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethanone
CID 90632808
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90632960
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide (CID 90632575) is N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide is O=C(NCC(=O)N1CCSC(c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide?
The InChIKey is GVWLMEGOKFMJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c21-17(13-19-18(22)14-5-2-1-3-6-14)20-9-8-16(24-12-10-20)15-7-4-11-23-15/h1-7,11,16H,8-10,12-13H2,(H,19,22).
What are the key properties of N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide?
N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide has a molecular weight of 360.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide is sourced from PubChem (CID 90632575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).