N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide

C28H26N2O3S — CID 169183102

IUPACN-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide
SMILESCOc1cccc(Sc2ccccc2NC(=O)CNC(=O)CCc2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O3S/c1-33-22-11-7-12-23(18-22)34-26-15-5-4-14-25(26)30-28(32)19-29-27(31)17-16-21-10-6-9-20-8-2-3-13-24(20)21/h2-15,18H,16-17,19H2,1H3,(H,29,31)(H,30,32)
InChIKeyLSOGWZAIMIZDDE-UHFFFAOYSA-N
MW470.59 g/mol
LogP5.69
Rot. Bonds9

About N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide

N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide (PubChem CID 169183102) has the molecular formula C28H26N2O3S and a molecular weight of 470.59 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide
PubChem CID169183102
Molecular FormulaC28H26N2O3S
Molecular Weight470.59 g/mol
Exact Mass470.17
IUPAC NameN-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide
SMILESCOc1cccc(Sc2ccccc2NC(=O)CNC(=O)CCc2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O3S/c1-33-22-11-7-12-23(18-22)34-26-15-5-4-14-25(26)30-28(32)19-29-27(31)17-16-21-10-6-9-20-8-2-3-13-24(20)21/h2-15,18H,16-17,19H2,1H3,(H,29,31)(H,30,32)
InChIKeyLSOGWZAIMIZDDE-UHFFFAOYSA-N
XLogP5.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.59
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 100760794
3-(7-methoxynaphthalen-1-yl)-N-(2-methylpropyl)propanamide
CID 19696840
2-[2-(3-methoxyphenyl)sulfanylphenyl]ethanamine
CID 55239501
4-amino-3-methoxy-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]butanamide
CID 120591295
N-[(3-methoxyphenyl)methyl]-2-naphthalen-1-ylacetamide
CID 2086540
3-(2-bromo-4,5-dimethoxyphenyl)-N-naphthalen-1-ylpropanamide
CID 1406311
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9477584
2-(2,4-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 16913160
2-(2,5-dimethoxyphenyl)-N-naphthalen-1-ylacetamide
CID 78804407
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide (CID 169183102) is N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide is COc1cccc(Sc2ccccc2NC(=O)CNC(=O)CCc2cccc3ccccc23)c1.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide?
The InChIKey is LSOGWZAIMIZDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3S/c1-33-22-11-7-12-23(18-22)34-26-15-5-4-14-25(26)30-28(32)19-29-27(31)17-16-21-10-6-9-20-8-2-3-13-24(20)21/h2-15,18H,16-17,19H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide?
N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide has a molecular weight of 470.59 g/mol, XLogP of 5.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)sulfanylanilino]-2-oxoethyl]-3-naphthalen-1-ylpropanamide is sourced from PubChem (CID 169183102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).