(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide

C18H22N4O3S — CID 122318920

IUPAC(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-4-16(5-3-15)7-13-26(23,24)20-14-17-19-8-6-18(21-17)22-9-11-25-12-10-22/h2-8,13,20H,9-12,14H2,1H3/b13-7+
InChIKeyDTPVXLNPKXJHMB-NTUHNPAUSA-N
MW374.47 g/mol
LogP1.71
Rot. Bonds6

About (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide

(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide (PubChem CID 122318920) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
PubChem CID122318920
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O3S/c1-15-2-4-16(5-3-15)7-13-26(23,24)20-14-17-19-8-6-18(21-17)22-9-11-25-12-10-22/h2-8,13,20H,9-12,14H2,1H3/b13-7+
InChIKeyDTPVXLNPKXJHMB-NTUHNPAUSA-N
XLogP1.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 72718132
1-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]imidazole-4-sulfonamide
CID 122318932
4-ethoxy-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966800
2,6-difluoro-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318910
1-(3,5-difluorophenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318923
2-(2,6-dioxopiperidin-1-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
CID 122318899
(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
CID 122318348
2-methyl-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]propanamide
CID 72718086
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]pentanamide
CID 72718087
1-(1,2-benzoxazol-3-yl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]methanesulfonamide
CID 122318950
2,4,6-trimethyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 91966700
(2-morpholin-4-yl-2-oxoethyl) 2-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]acetate
CID 7397934

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide?
The IUPAC name of (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide (CID 122318920) is (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCc2nccc(N3CCOCC3)n2)cc1.
What is the InChIKey of (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide?
The InChIKey is DTPVXLNPKXJHMB-NTUHNPAUSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-15-2-4-16(5-3-15)7-13-26(23,24)20-14-17-19-8-6-18(21-17)22-9-11-25-12-10-22/h2-8,13,20H,9-12,14H2,1H3/b13-7+.
What are the key properties of (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide?
(E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methylphenyl)-N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]ethenesulfonamide is sourced from PubChem (CID 122318920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).