N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

C21H22N2O4S — CID 9495720

IUPACN-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O4S/c1-27-19-8-4-5-16(13-19)15-22-21(24)11-12-23-28(25,26)20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14,23H,11-12,15H2,1H3,(H,22,24)
InChIKeyLNFYJWOAHGJFFA-UHFFFAOYSA-N
MW398.48 g/mol
LogP2.83
Rot. Bonds8

About N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide

N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (PubChem CID 9495720) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
PubChem CID9495720
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
SMILESCOc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C21H22N2O4S/c1-27-19-8-4-5-16(13-19)15-22-21(24)11-12-23-28(25,26)20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14,23H,11-12,15H2,1H3,(H,22,24)
InChIKeyLNFYJWOAHGJFFA-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
N-methyl-4-[[3-(naphthalen-2-ylsulfonylamino)propanoylamino]methyl]-N-propan-2-ylbenzamide
CID 55636084
N-(3,5-dimethoxyphenyl)-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9466214
N-methyl-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 47101384
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299
(4-methoxyphenyl)methyl 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 16577982
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
4-(benzenesulfonyl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 91309670
N-[(3,5-dimethoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577873
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide (CID 9495720) is N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is COc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
The InChIKey is LNFYJWOAHGJFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-27-19-8-4-5-16(13-19)15-22-21(24)11-12-23-28(25,26)20-10-9-17-6-2-3-7-18(17)14-20/h2-10,13-14,23H,11-12,15H2,1H3,(H,22,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide?
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide has a molecular weight of 398.48 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 9495720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).