N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide

C29H29N3O6S — CID 118039042

IUPACN-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc(-c2ccoc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C29H29N3O6S/c1-3-32(24-12-14-25(37-2)15-13-24)28(33)27(18-21-8-5-4-6-9-21)30-29(34)31-39(35,36)26-11-7-10-22(19-26)23-16-17-38-20-23/h4-17,19-20,27H,3,18H2,1-2H3,(H2,30,31,34)
InChIKeyHLDIAIHIYKKHKW-UHFFFAOYSA-N
MW547.63 g/mol
LogP4.61
Rot. Bonds10

About N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide

N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide (PubChem CID 118039042) has the molecular formula C29H29N3O6S and a molecular weight of 547.63 g/mol. Its IUPAC name is N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
PubChem CID118039042
Molecular FormulaC29H29N3O6S
Molecular Weight547.63 g/mol
Exact Mass547.18
IUPAC NameN-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc(-c2ccoc2)c1)c1ccc(OC)cc1
InChIInChI=1S/C29H29N3O6S/c1-3-32(24-12-14-25(37-2)15-13-24)28(33)27(18-21-8-5-4-6-9-21)30-29(34)31-39(35,36)26-11-7-10-22(19-26)23-16-17-38-20-23/h4-17,19-20,27H,3,18H2,1-2H3,(H2,30,31,34)
InChIKeyHLDIAIHIYKKHKW-UHFFFAOYSA-N
XLogP4.61
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.63
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
CID 135264810
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
2-[(6-methoxy-2-methylindol-1-yl)sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 146594950

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide (CID 118039042) is N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide is CCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc(-c2ccoc2)c1)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide?
The InChIKey is HLDIAIHIYKKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S/c1-3-32(24-12-14-25(37-2)15-13-24)28(33)27(18-21-8-5-4-6-9-21)30-29(34)31-39(35,36)26-11-7-10-22(19-26)23-16-17-38-20-23/h4-17,19-20,27H,3,18H2,1-2H3,(H2,30,31,34).
What are the key properties of N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide?
N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide has a molecular weight of 547.63 g/mol, XLogP of 4.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 118039042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).