N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide

C29H29N3O5S — CID 122510050

IUPACN-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C29H29N3O5S/c1-3-32(23-16-18-24(37-2)19-17-23)28(33)26(20-21-10-5-4-6-11-21)30-29(34)31-38(35,36)27-15-9-13-22-12-7-8-14-25(22)27/h4-19,26H,3,20H2,1-2H3,(H2,30,31,34)
InChIKeyIULZOPXPGGSQNB-UHFFFAOYSA-N
MW531.63 g/mol
LogP4.50
Rot. Bonds9

About N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide

N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide (PubChem CID 122510050) has the molecular formula C29H29N3O5S and a molecular weight of 531.63 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
PubChem CID122510050
Molecular FormulaC29H29N3O5S
Molecular Weight531.63 g/mol
Exact Mass531.18
IUPAC NameN-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C29H29N3O5S/c1-3-32(23-16-18-24(37-2)19-17-23)28(33)26(20-21-10-5-4-6-11-21)30-29(34)31-38(35,36)27-15-9-13-22-12-7-8-14-25(22)27/h4-19,26H,3,20H2,1-2H3,(H2,30,31,34)
InChIKeyIULZOPXPGGSQNB-UHFFFAOYSA-N
XLogP4.50
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.63
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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)-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-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
CID 135264810
N-ethyl-2-[[3-(furan-3-yl)phenyl]sulfonylcarbamoylamino]-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118039042
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 144836010
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-(quinolin-8-ylsulfonylamino)propanamide
CID 20950537
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
CID 122510074
N-(4-methoxyphenyl)-2-[[(4-methoxyphenyl)-methylsulfamoyl]carbamoylamino]-N-methyl-3-phenylpropanamide
CID 134378241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide?
The IUPAC name of N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide (CID 122510050) is N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide?
The canonical SMILES for N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide is CCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1cccc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide?
The InChIKey is IULZOPXPGGSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5S/c1-3-32(23-16-18-24(37-2)19-17-23)28(33)26(20-21-10-5-4-6-11-21)30-29(34)31-38(35,36)27-15-9-13-22-12-7-8-14-25(22)27/h4-19,26H,3,20H2,1-2H3,(H2,30,31,34).
What are the key properties of N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide?
N-ethyl-N-(4-methoxyphenyl)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide has a molecular weight of 531.63 g/mol, XLogP of 4.50, 9 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)-2-(naphthalen-1-ylsulfonylcarbamoylamino)-3-phenylpropanamide is sourced from PubChem (CID 122510050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).