N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide

C20H20N2O3S2 — CID 9179638

IUPACN-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-26-18-9-7-17(8-10-18)22-20(23)12-13-21-27(24,25)19-11-6-15-4-2-3-5-16(15)14-19/h2-11,14,21H,12-13H2,1H3,(H,22,23)
InChIKeyOVDPNPPWPIDRAG-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.87
Rot. Bonds7

About N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide

N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 9179638) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID9179638
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC NameN-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3S2/c1-26-18-9-7-17(8-10-18)22-20(23)12-13-21-27(24,25)19-11-6-15-4-2-3-5-16(15)14-19/h2-11,14,21H,12-13H2,1H3,(H,22,23)
InChIKeyOVDPNPPWPIDRAG-UHFFFAOYSA-N
XLogP3.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(naphthalen-2-ylsulfonylamino)-N-phenylpropanamide
CID 9340894
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 32940101
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
4-[3-(naphthalen-2-ylsulfonylamino)propanoylamino]-N-propylbenzamide
CID 55948759
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
3-[(4-acetylphenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369414
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 27365344
3-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 32728448
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16556432
N-[3-(4-fluorophenyl)sulfanylpropyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 26635601

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 9179638) is N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide is CSc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is OVDPNPPWPIDRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-26-18-9-7-17(8-10-18)22-20(23)12-13-21-27(24,25)19-11-6-15-4-2-3-5-16(15)14-19/h2-11,14,21H,12-13H2,1H3,(H,22,23).
What are the key properties of N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 400.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 9179638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).