N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

C20H27ClN2OS — CID 119046188

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCNCC2)c1cccs1.Cl
InChIInChI=1S/C20H26N2OS.ClH/c1-20(2,3)18(17-5-4-12-24-17)22-19(23)16-7-6-14-8-10-21-11-9-15(14)13-16;/h4-7,12-13,18,21H,8-11H2,1-3H3,(H,22,23);1H
InChIKeySKSTVJDQGUEUTM-UHFFFAOYSA-N
MW378.97 g/mol
LogP4.38
Rot. Bonds3

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (PubChem CID 119046188) has the molecular formula C20H27ClN2OS and a molecular weight of 378.97 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
PubChem CID119046188
Molecular FormulaC20H27ClN2OS
Molecular Weight378.97 g/mol
Exact Mass378.15
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)c1ccc2c(c1)CCNCC2)c1cccs1.Cl
InChIInChI=1S/C20H26N2OS.ClH/c1-20(2,3)18(17-5-4-12-24-17)22-19(23)16-7-6-14-8-10-21-11-9-15(14)13-16;/h4-7,12-13,18,21H,8-11H2,1-3H3,(H,22,23);1H
InChIKeySKSTVJDQGUEUTM-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43534403
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55778074
ethyl 3-[(2,2-dimethyl-1-thiophen-2-ylpropyl)carbamoyl]-5-nitrobenzoate
CID 55777825
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55777758
3,3-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoic acid
CID 43467734
3-methyl-2-(1,2,3,4-tetrahydroisoquinoline-6-carbonylamino)butanoic acid
CID 110489057
4-bromo-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-fluorobenzamide
CID 55661710
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55777976
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
6-oxo-N-[(R)-5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1H-pyridine-3-carboxamide
CID 31981369
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056224
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride (CID 119046188) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is CC(C)(C)C(NC(=O)c1ccc2c(c1)CCNCC2)c1cccs1.Cl.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
The InChIKey is SKSTVJDQGUEUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS.ClH/c1-20(2,3)18(17-5-4-12-24-17)22-19(23)16-7-6-14-8-10-21-11-9-15(14)13-16;/h4-7,12-13,18,21H,8-11H2,1-3H3,(H,22,23);1H.
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride has a molecular weight of 378.97 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide;hydrochloride is sourced from PubChem (CID 119046188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).