N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

C23H35N5O3S2 — CID 55626327

IUPACN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1
InChIInChI=1S/C23H35N5O3S2/c1-26(18-8-4-2-5-9-18)33(30,31)28-14-12-27(13-15-28)17-22(29)25-23-20(16-24)19-10-6-3-7-11-21(19)32-23/h18H,2-15,17H2,1H3,(H,25,29)
InChIKeyNLDCVOJXQYVXMI-UHFFFAOYSA-N
MW493.70 g/mol
LogP2.95
Rot. Bonds6

About N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (PubChem CID 55626327) has the molecular formula C23H35N5O3S2 and a molecular weight of 493.70 g/mol. Its IUPAC name is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
PubChem CID55626327
Molecular FormulaC23H35N5O3S2
Molecular Weight493.70 g/mol
Exact Mass493.22
IUPAC NameN-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1
InChIInChI=1S/C23H35N5O3S2/c1-26(18-8-4-2-5-9-18)33(30,31)28-14-12-27(13-15-28)17-22(29)25-23-20(16-24)19-10-6-3-7-11-21(19)32-23/h18H,2-15,17H2,1H3,(H,25,29)
InChIKeyNLDCVOJXQYVXMI-UHFFFAOYSA-N
XLogP2.95
TPSA96.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[cyclohexyl(methyl)amino]acetamide
CID 22200480
2-(azocan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 8583837
1-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxamide
CID 7998586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-cyclohexyloxypiperidin-1-yl)acetamide
CID 86874015
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 51431521
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-[cyclohexyl(methyl)amino]propanamide
CID 27067386
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199051
2-(4-acetylpiperazin-1-yl)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 2697586
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-morpholin-4-ylacetamide
CID 705201
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)acetamide
CID 22195796
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 3443144
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801324

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide (CID 55626327) is N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1.
What is the InChIKey of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
The InChIKey is NLDCVOJXQYVXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3S2/c1-26(18-8-4-2-5-9-18)33(30,31)28-14-12-27(13-15-28)17-22(29)25-23-20(16-24)19-10-6-3-7-11-21(19)32-23/h18H,2-15,17H2,1H3,(H,25,29).
What are the key properties of N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide?
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide has a molecular weight of 493.70 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55626327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).