N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide

C17H20N2O3S2 — CID 166342727

IUPACN-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
SMILESCCc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CNCCC3)s1
InChIInChI=1S/C17H20N2O3S2/c1-2-15-7-8-16(23-15)24(21,22)19-17(20)13-6-5-12-4-3-9-18-11-14(12)10-13/h5-8,10,18H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyUVVWKDIUGYIGCD-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.46
Rot. Bonds4

About N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide

N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide (PubChem CID 166342727) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide.

Molecular Properties

Compound NameN-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
PubChem CID166342727
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide
SMILESCCc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CNCCC3)s1
InChIInChI=1S/C17H20N2O3S2/c1-2-15-7-8-16(23-15)24(21,22)19-17(20)13-6-5-12-4-3-9-18-11-14(12)10-13/h5-8,10,18H,2-4,9,11H2,1H3,(H,19,20)
InChIKeyUVVWKDIUGYIGCD-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide with MolForge

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Related Compounds

2-(5-ethylthiophen-2-yl)-1-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethanone
CID 116609415
1-(2,3-dihydro-1H-isoindol-5-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 116613118
N-[(3-amino-5-methyl-1,2-oxazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1H-2-benzazepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 166323132
N-[(1-ethylcyclobutyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105056005
N-[(5-sulfamoylthiophen-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 24574708
N-[2-(5-bromothiophen-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 105055798
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
5-ethyl-N-(2-oxopropyl)thiophene-2-sulfonamide
CID 64994375
N-(2-hydroxy-2-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 106292129
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
methyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 10656920

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The IUPAC name of N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide (CID 166342727) is N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide.
What is the SMILES notation for N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The canonical SMILES for N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide is CCc1ccc(S(=O)(=O)NC(=O)c2ccc3c(c2)CNCCC3)s1.
What is the InChIKey of N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
The InChIKey is UVVWKDIUGYIGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-2-15-7-8-16(23-15)24(21,22)19-17(20)13-6-5-12-4-3-9-18-11-14(12)10-13/h5-8,10,18H,2-4,9,11H2,1H3,(H,19,20).
What are the key properties of N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide?
N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylthiophen-2-yl)sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepine-8-carboxamide is sourced from PubChem (CID 166342727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).