N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide

C29H29N3O4S — CID 118037736

IUPACN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C29H29N3O4S/c1-3-32(25-18-17-23-14-8-9-15-24(23)20-25)28(33)26(19-22-12-5-4-6-13-22)30-29(34)31-37(35,36)27-16-10-7-11-21(27)2/h4-18,20,26H,3,19H2,1-2H3,(H2,30,31,34)
InChIKeyMWBBQYHHZIWBHO-UHFFFAOYSA-N
MW515.64 g/mol
LogP4.80
Rot. Bonds8

About N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide

N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide (PubChem CID 118037736) has the molecular formula C29H29N3O4S and a molecular weight of 515.64 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
PubChem CID118037736
Molecular FormulaC29H29N3O4S
Molecular Weight515.64 g/mol
Exact Mass515.19
IUPAC NameN-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide
SMILESCCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ccccc2c1
InChIInChI=1S/C29H29N3O4S/c1-3-32(25-18-17-23-14-8-9-15-24(23)20-25)28(33)26(19-22-12-5-4-6-13-22)30-29(34)31-37(35,36)27-16-10-7-11-21(27)2/h4-18,20,26H,3,19H2,1-2H3,(H2,30,31,34)
InChIKeyMWBBQYHHZIWBHO-UHFFFAOYSA-N
XLogP4.80
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.64
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinolin-6-ylpropanamide
CID 122510074
(2S)-2-[(5-bromo-2-methylphenyl)sulfonylcarbamoylamino]-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 118037597
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
N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 118038144
(2S)-N-(4-methoxy-3-methylphenyl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118038110
(2S)-N-(4-methoxyphenyl)-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 118037856
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118039001
N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenyl-N-quinoxalin-6-ylpropanamide
CID 118038545
N-[4-(carbamoylamino)phenyl]-N-methyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 135264896
(2S)-N-ethyl-N-(4-methoxyphenyl)-2-[(2-methyl-3-thiophen-3-ylphenyl)sulfonylcarbamoylamino]-3-phenylpropanamide
CID 118037803
N-ethyl-N-(4-methoxyphenyl)-3-phenyl-2-[[3-[(Z)-prop-1-enyl]phenyl]sulfonylcarbamoylamino]propanamide
CID 135264810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide?
The IUPAC name of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide (CID 118037736) is N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide.
What is the SMILES notation for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide?
The canonical SMILES for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide is CCN(C(=O)C(Cc1ccccc1)NC(=O)NS(=O)(=O)c1ccccc1C)c1ccc2ccccc2c1.
What is the InChIKey of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide?
The InChIKey is MWBBQYHHZIWBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4S/c1-3-32(25-18-17-23-14-8-9-15-24(23)20-25)28(33)26(19-22-12-5-4-6-13-22)30-29(34)31-37(35,36)27-16-10-7-11-21(27)2/h4-18,20,26H,3,19H2,1-2H3,(H2,30,31,34).
What are the key properties of N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide?
N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide has a molecular weight of 515.64 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylphenyl)sulfonylcarbamoylamino]-N-naphthalen-2-yl-3-phenylpropanamide is sourced from PubChem (CID 118037736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).