(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide

C25H28N2O4S — CID 26276857

IUPAC(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide
SMILESCOC[C@H](C)Oc1cccc(CN(Cc2ccncc2)S(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-21(20-30-2)31-25-10-6-9-24(17-25)19-27(18-23-11-14-26-15-12-23)32(28,29)16-13-22-7-4-3-5-8-22/h3-17,21H,18-20H2,1-2H3/b16-13+/t21-/m0/s1
InChIKeyWKVVZYQRXDCTCI-WMJZSHNHSA-N
MW452.58 g/mol
LogP4.50
Rot. Bonds11

About (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide

(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide (PubChem CID 26276857) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide
PubChem CID26276857
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide
SMILESCOC[C@H](C)Oc1cccc(CN(Cc2ccncc2)S(=O)(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C25H28N2O4S/c1-21(20-30-2)31-25-10-6-9-24(17-25)19-27(18-23-11-14-26-15-12-23)32(28,29)16-13-22-7-4-3-5-8-22/h3-17,21H,18-20H2,1-2H3/b16-13+/t21-/m0/s1
InChIKeyWKVVZYQRXDCTCI-WMJZSHNHSA-N
XLogP4.50
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-3-(2-chlorophenyl)-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 45209048
[3-[[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 6262452
N-benzyl-2-[2-methoxyethyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 6142760
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 22087557
2-[benzyl(2-phenylethenylsulfonyl)amino]-N-methyl-N-phenylacetamide
CID 3594949
[3-[[3-phenylprop-2-enoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate
CID 4061044
N-benzyl-2-[2-methoxyethyl(2-phenylethenylsulfonyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 4534896
3-[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909244
N-cyclopropyl-N-[[3-(1-methoxypropan-2-yloxy)phenyl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 45185107
(E)-N-benzyl-2-(4-methylphenyl)-N-propan-2-ylethenesulfonamide
CID 52697174
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
[3-[[benzenesulfonyl(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate
CID 4107032

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide?
The IUPAC name of (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide (CID 26276857) is (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide is COC[C@H](C)Oc1cccc(CN(Cc2ccncc2)S(=O)(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide?
The InChIKey is WKVVZYQRXDCTCI-WMJZSHNHSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-21(20-30-2)31-25-10-6-9-24(17-25)19-27(18-23-11-14-26-15-12-23)32(28,29)16-13-22-7-4-3-5-8-22/h3-17,21H,18-20H2,1-2H3/b16-13+/t21-/m0/s1.
What are the key properties of (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide?
(E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide has a molecular weight of 452.58 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[3-[(2S)-1-methoxypropan-2-yl]oxyphenyl]methyl]-2-phenyl-N-(pyridin-4-ylmethyl)ethenesulfonamide is sourced from PubChem (CID 26276857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).