N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide

C28H31N3O5S — CID 135264810

IUPACN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
SMILESC/C=C\c1cccc(S(=O)(=O)NC(=O)NC(Cc2ccccc2)C(=O)N(CC)c2ccc(OC)cc2)c1
InChIInChI=1S/C28H31N3O5S/c1-4-10-21-13-9-14-25(19-21)37(34,35)30-28(33)29-26(20-22-11-7-6-8-12-22)27(32)31(5-2)23-15-17-24(36-3)18-16-23/h4,6-19,26H,5,20H2,1-3H3,(H2,29,30,33)/b10-4-
InChIKeyQCFOCVHBMIKMEL-WMZJFQQLSA-N
MW521.64 g/mol
LogP4.38
Rot. Bonds10

About N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide

N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide (PubChem CID 135264810) has the molecular formula C28H31N3O5S and a molecular weight of 521.64 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
PubChem CID135264810
Molecular FormulaC28H31N3O5S
Molecular Weight521.64 g/mol
Exact Mass521.20
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
SMILESC/C=C\c1cccc(S(=O)(=O)NC(=O)NC(Cc2ccccc2)C(=O)N(CC)c2ccc(OC)cc2)c1
InChIInChI=1S/C28H31N3O5S/c1-4-10-21-13-9-14-25(19-21)37(34,35)30-28(33)29-26(20-22-11-7-6-8-12-22)27(32)31(5-2)23-15-17-24(36-3)18-16-23/h4,6-19,26H,5,20H2,1-3H3,(H2,29,30,33)/b10-4-
InChIKeyQCFOCVHBMIKMEL-WMZJFQQLSA-N
XLogP4.38
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.64
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118039042
N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
CID 122510050
2-[(2-aminophenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037900
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037597
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 144836010
(2S)-N-ethyl-N-(4-methoxyphenyl)-2-[(2-methyl-3-thiophen-3-ylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118037803
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
CID 118037736
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241
(2S)-N-(4-methoxyphenyl)-2-[[(3-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648437
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
(2S)-N-(4-methoxyphenyl)-2-[[(2-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 122648448

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide (CID 135264810) is N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide is C/C=C\c1cccc(S(=O)(=O)NC(=O)NC(Cc2ccccc2)C(=O)N(CC)c2ccc(OC)cc2)c1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide?
The InChIKey is QCFOCVHBMIKMEL-WMZJFQQLSA-N. The full InChI is InChI=1S/C28H31N3O5S/c1-4-10-21-13-9-14-25(19-21)37(34,35)30-28(33)29-26(20-22-11-7-6-8-12-22)27(32)31(5-2)23-15-17-24(36-3)18-16-23/h4,6-19,26H,5,20H2,1-3H3,(H2,29,30,33)/b10-4-.
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide?
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide has a molecular weight of 521.64 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide is sourced from PubChem (CID 135264810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).