N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C20H23N3O2S2 — CID 71797228

IUPACN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23N3O2S2/c1-23-14-18(19-7-4-12-26-19)22-20(23)10-11-21-27(24,25)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-14,21H,2-3,5-6,10-11H2,1H3
InChIKeyDCWPDUYYPLEBAI-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.55
Rot. Bonds6

About N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 71797228) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID71797228
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC NameN-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C20H23N3O2S2/c1-23-14-18(19-7-4-12-26-19)22-20(23)10-11-21-27(24,25)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-14,21H,2-3,5-6,10-11H2,1H3
InChIKeyDCWPDUYYPLEBAI-UHFFFAOYSA-N
XLogP3.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 71797224
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289
N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90563966
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 9188640
N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71797281
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(4-aminophenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 120715722
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 47093261
2-[2-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]-1,3-thiazol-4-yl]acetic acid
CID 146128015
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 71797228) is N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1cc(-c2cccs2)nc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is DCWPDUYYPLEBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-23-14-18(19-7-4-12-26-19)22-20(23)10-11-21-27(24,25)17-9-8-15-5-2-3-6-16(15)13-17/h4,7-9,12-14,21H,2-3,5-6,10-11H2,1H3.
What are the key properties of N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 401.56 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 71797228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).