(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium

C22H29N2OS+ — CID 7047214

IUPAC(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium
SMILESO=C(Nc1sc2c(c1C[NH2+]C1CCCCC1)CCCC2)c1ccccc1
InChIInChI=1S/C22H28N2OS/c25-21(16-9-3-1-4-10-16)24-22-19(15-23-17-11-5-2-6-12-17)18-13-7-8-14-20(18)26-22/h1,3-4,9-10,17,23H,2,5-8,11-15H2,(H,24,25)/p+1
InChIKeyKRNUUIYKUAUJPP-UHFFFAOYSA-O
MW369.55 g/mol
LogP4.28
Rot. Bonds5

About (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium

(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium (PubChem CID 7047214) has the molecular formula C22H29N2OS+ and a molecular weight of 369.55 g/mol. Its IUPAC name is (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium.

Molecular Properties

Compound Name(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium
PubChem CID7047214
Molecular FormulaC22H29N2OS+
Molecular Weight369.55 g/mol
Exact Mass369.20
IUPAC Name(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium
SMILESO=C(Nc1sc2c(c1C[NH2+]C1CCCCC1)CCCC2)c1ccccc1
InChIInChI=1S/C22H28N2OS/c25-21(16-9-3-1-4-10-16)24-22-19(15-23-17-11-5-2-6-12-17)18-13-7-8-14-20(18)26-22/h1,3-4,9-10,17,23H,2,5-8,11-15H2,(H,24,25)/p+1
InChIKeyKRNUUIYKUAUJPP-UHFFFAOYSA-O
XLogP4.28
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium with MolForge

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Related Compounds

N-[3-[(dimethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 832523
N-(3-formyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
CID 833794
2-amino-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 131853705
2-benzamido-N-pyridin-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 1268401
2-benzamido-N-[(2R)-2,3-dihydroxypropyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1112368
N-[3-[[4-benzamido-5-(cyanomethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]benzamide
CID 53305551
N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 902348
2-(azepan-1-yl)-N-(3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
CID 1079410
methyl 2-[(4-benzylbenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4618224
N-[4,5-dimethyl-3-(piperidin-1-ylmethyl)thiophen-2-yl]benzamide
CID 5158950
2-benzamido-N-[(3R)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 35042694
2-benzamido-N-(1,1-dioxothiolan-3-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 17012685

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium?
The IUPAC name of (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium (CID 7047214) is (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium.
What is the SMILES notation for (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium?
The canonical SMILES for (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium is O=C(Nc1sc2c(c1C[NH2+]C1CCCCC1)CCCC2)c1ccccc1.
What is the InChIKey of (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium?
The InChIKey is KRNUUIYKUAUJPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28N2OS/c25-21(16-9-3-1-4-10-16)24-22-19(15-23-17-11-5-2-6-12-17)18-13-7-8-14-20(18)26-22/h1,3-4,9-10,17,23H,2,5-8,11-15H2,(H,24,25)/p+1.
What are the key properties of (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium?
(2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium has a molecular weight of 369.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl-cyclohexylazanium is sourced from PubChem (CID 7047214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).