2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

C28H26N2O4S — CID 18907877

IUPAC2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O4S/c1-18(27(31)30-23-14-6-10-19-9-4-5-13-22(19)23)35-21-12-7-11-20(17-21)29-28(32)26-24(33-2)15-8-16-25(26)34-3/h4-18H,1-3H3,(H,29,32)(H,30,31)
InChIKeyUQLCPHULVNJQJE-UHFFFAOYSA-N
MW486.59 g/mol
LogP6.23
Rot. Bonds8

About 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide

2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (PubChem CID 18907877) has the molecular formula C28H26N2O4S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
PubChem CID18907877
Molecular FormulaC28H26N2O4S
Molecular Weight486.59 g/mol
Exact Mass486.16
IUPAC Name2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C28H26N2O4S/c1-18(27(31)30-23-14-6-10-19-9-4-5-13-22(19)23)35-21-12-7-11-20(17-21)29-28(32)26-24(33-2)15-8-16-25(26)34-3/h4-18H,1-3H3,(H,29,32)(H,30,31)
InChIKeyUQLCPHULVNJQJE-UHFFFAOYSA-N
XLogP6.23
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.59
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907876
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 94019708
N-[3-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907849
N-[3-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907863
8-[[3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897310
N-[(E)-1-(2,3-dimethoxyphenyl)-3-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19307358
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866
2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide
CID 19318655
N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907589
N-[3-[1-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299190
N-[3-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902664

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide (CID 18907877) is 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is UQLCPHULVNJQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4S/c1-18(27(31)30-23-14-6-10-19-9-4-5-13-22(19)23)35-21-12-7-11-20(17-21)29-28(32)26-24(33-2)15-8-16-25(26)34-3/h4-18H,1-3H3,(H,29,32)(H,30,31).
What are the key properties of 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide?
2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 486.59 g/mol, XLogP of 6.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18907877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).