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

C19H21N5O2S — CID 71808241

IUPACN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N5O2S/c25-27(26,17-7-6-15-4-1-2-5-16(15)14-17)23-11-13-24-12-10-22-19(24)18-20-8-3-9-21-18/h3,6-10,12,14,23H,1-2,4-5,11,13H2
InChIKeyTYDKXMUNVCBMEC-UHFFFAOYSA-N
MW383.48 g/mol
LogP2.20
Rot. Bonds6

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

N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 71808241) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID71808241
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC NameN-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C19H21N5O2S/c25-27(26,17-7-6-15-4-1-2-5-16(15)14-17)23-11-13-24-12-10-22-19(24)18-20-8-3-9-21-18/h3,6-10,12,14,23H,1-2,4-5,11,13H2
InChIKeyTYDKXMUNVCBMEC-UHFFFAOYSA-N
XLogP2.20
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrol-1-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716386
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90516325
N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90613978
N-(3-pyridin-2-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110661050
N-[2-(1,3-dioxoisoindol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113081978
N-[2-(2-oxoazepan-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39667463
N-[3-[2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20955990
N-[2-[1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-3-yl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 53144899
N-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 55540409
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]butane-1-sulfonamide
CID 90588985
N-[2-(2-phenylmorpholin-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16892711
N-(benzimidazol-1-yl)-3-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 71808241) is N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCCn1ccnc1-c1ncccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is TYDKXMUNVCBMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c25-27(26,17-7-6-15-4-1-2-5-16(15)14-17)23-11-13-24-12-10-22-19(24)18-20-8-3-9-21-18/h3,6-10,12,14,23H,1-2,4-5,11,13H2.
What are the key properties of N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 383.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 71808241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).