5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide

C18H21N5O3S — CID 90589047

IUPAC5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-14-5-6-15(26-2)16(13-14)27(24,25)22-10-12-23-11-9-21-18(23)17-19-7-4-8-20-17/h4-9,11,13,22H,3,10,12H2,1-2H3
InChIKeyZVHSMHYLPJHQIA-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.89
Rot. Bonds8

About 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide

5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90589047) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90589047
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1
InChIInChI=1S/C18H21N5O3S/c1-3-14-5-6-15(26-2)16(13-14)27(24,25)22-10-12-23-11-9-21-18(23)17-19-7-4-8-20-17/h4-9,11,13,22H,3,10,12H2,1-2H3
InChIKeyZVHSMHYLPJHQIA-UHFFFAOYSA-N
XLogP1.89
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588458
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71808241
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
2-methoxy-5-methyl-N-[2-(6-oxopyridazin-1-yl)ethyl]benzenesulfonamide
CID 42226764
5-chloro-N-[2-(3-ethylphenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113100078
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
5-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]-2-methoxybenzenesulfonamide
CID 90523863
5-ethyl-2-methoxy-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887983

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide (CID 90589047) is 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCCn2ccnc2-c2ncccn2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is ZVHSMHYLPJHQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-3-14-5-6-15(26-2)16(13-14)27(24,25)22-10-12-23-11-9-21-18(23)17-19-7-4-8-20-17/h4-9,11,13,22H,3,10,12H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide?
5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 387.47 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90589047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).