[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine

C19H19NO2S2 — CID 130344950

IUPAC[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C19H19NO2S2/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19/h3-12H,2,13,20H2,1H3
InChIKeyHUGLZWCGBSHYCX-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.27
Rot. Bonds5

About [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine

[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130344950) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
PubChem CID130344950
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1
InChIInChI=1S/C19H19NO2S2/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19/h3-12H,2,13,20H2,1H3
InChIKeyHUGLZWCGBSHYCX-UHFFFAOYSA-N
XLogP4.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cct365623
CID 130345035
5-methyl-N-(4-methylbenzyl)thiophene-2-sulfonamide
CID 2148031
2,4,5-trimethyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 6461005
4-(2''-Methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9822409
4-(Biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21057162
5-Methylsulfanyl-4-(2''-vinyl-biphenyl-3-sulfonyl)-thiophene-2-carboxamidine
CID 21886127
4-(4''-Methyl-biphenyl-3-sulfonyl)-5-methylsulfanyl-thiophene-2-carboxamidine
CID 21886276
N-isobutyl-N-[5-(3-methanesulfonyl-phenyl)-thiophen-2-ylmethyl]-C-phenyl-methanesulfonamide
CID 25234324
[3-Fluoro-5-(3-methylsulfonyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine
CID 130344958
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine;hydrochloride
CID 130345158
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonylthiophen-2-yl]methanamine
CID 130345159
(5-Naphthalen-2-ylsulfonylthiophen-2-yl)methanamine
CID 130345191

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine (CID 130344950) is [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine is CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1.
What is the InChIKey of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is HUGLZWCGBSHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-2-14-10-16(15-6-4-3-5-7-15)12-18(11-14)24(21,22)19-9-8-17(13-20)23-19/h3-12H,2,13,20H2,1H3.
What are the key properties of [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine?
[5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 357.50 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-5-phenylphenyl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).