N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide

C18H24N2O2S2 — CID 16890340

IUPACN-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCCCCC2)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S2/c21-24(22,18-6-5-15-23-18)19-12-11-16-7-9-17(10-8-16)20-13-3-1-2-4-14-20/h5-10,15,19H,1-4,11-14H2
InChIKeyZNLPWTSSZSITRK-UHFFFAOYSA-N
MW364.54 g/mol
LogP3.65
Rot. Bonds6

About N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide

N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide (PubChem CID 16890340) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
PubChem CID16890340
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameN-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc(N2CCCCCC2)cc1)c1cccs1
InChIInChI=1S/C18H24N2O2S2/c21-24(22,18-6-5-15-23-18)19-12-11-16-7-9-17(10-8-16)20-13-3-1-2-4-14-20/h5-10,15,19H,1-4,11-14H2
InChIKeyZNLPWTSSZSITRK-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890206
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
N-[2-(3,4-dichlorophenyl)ethyl]thiophene-2-sulfonamide
CID 3810708
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
4-methoxy-3,5-dimethyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890547
N-[2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]thiophene-2-sulfonamide
CID 133397420
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
CID 16890576
N-[2-(2-hydroxyphenyl)ethyl]thiophene-2-sulfonamide
CID 110605316
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide (CID 16890340) is N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc(N2CCCCCC2)cc1)c1cccs1.
What is the InChIKey of N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide?
The InChIKey is ZNLPWTSSZSITRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c21-24(22,18-6-5-15-23-18)19-12-11-16-7-9-17(10-8-16)20-13-3-1-2-4-14-20/h5-10,15,19H,1-4,11-14H2.
What are the key properties of N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide?
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide has a molecular weight of 364.54 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16890340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).