N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide

C16H24N2OS2 — CID 90632960

IUPACN-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC(c2cccs2)CC1
InChIInChI=1S/C16H24N2OS2/c19-16(17-13-5-2-1-3-6-13)18-9-8-15(21-12-10-18)14-7-4-11-20-14/h4,7,11,13,15H,1-3,5-6,8-10,12H2,(H,17,19)
InChIKeyQRTUFELJECTPJS-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.27
Rot. Bonds2

About N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide

N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide (PubChem CID 90632960) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
PubChem CID90632960
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC NameN-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
SMILESO=C(NC1CCCCC1)N1CCSC(c2cccs2)CC1
InChIInChI=1S/C16H24N2OS2/c19-16(17-13-5-2-1-3-6-13)18-9-8-15(21-12-10-18)14-7-4-11-20-14/h4,7,11,13,15H,1-3,5-6,8-10,12H2,(H,17,19)
InChIKeyQRTUFELJECTPJS-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90633001
N-cycloheptyl-7-(2-fluorophenyl)-1,4-thiazepane-4-carboxamide
CID 90630390
7-(2-chlorophenyl)-N-cyclohexyl-1,4-thiazepane-4-carboxamide
CID 90629870
N-cyclopentyl-7-(2,5-difluorophenyl)-1,4-thiazepane-4-carboxamide
CID 90631925
N-(2-ethoxyphenyl)-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90632987
2,2-diphenyl-1-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethanone
CID 90632738
N,N-diethyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide
CID 90633015
(4-methyl-1,3-thiazol-5-yl)-(7-thiophen-2-yl-1,4-thiazepan-4-yl)methanone
CID 90632899
(1R)-N-cyclohexyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387630
N-[2-oxo-2-(7-thiophen-2-yl-1,4-thiazepan-4-yl)ethyl]benzamide
CID 90632575
N-cyclohexyl-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580594
4-(7-thiophen-2-yl-1,4-thiazepane-4-carbonyl)benzonitrile
CID 90632812

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide?
The IUPAC name of N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide (CID 90632960) is N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide?
The canonical SMILES for N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide is O=C(NC1CCCCC1)N1CCSC(c2cccs2)CC1.
What is the InChIKey of N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide?
The InChIKey is QRTUFELJECTPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c19-16(17-13-5-2-1-3-6-13)18-9-8-15(21-12-10-18)14-7-4-11-20-14/h4,7,11,13,15H,1-3,5-6,8-10,12H2,(H,17,19).
What are the key properties of N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide?
N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide has a molecular weight of 324.52 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-7-thiophen-2-yl-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 90632960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).