2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide

C30H28N2O4S — CID 19318655

IUPAC2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H28N2O4S/c1-21(30(34)32(23-13-6-4-7-14-23)24-15-8-5-9-16-24)37-25-17-10-12-22(20-25)31-29(33)28-26(35-2)18-11-19-27(28)36-3/h4-21H,1-3H3,(H,31,33)
InChIKeySOVKNHZRJZIEAN-UHFFFAOYSA-N
MW512.63 g/mol
LogP6.80
Rot. Bonds9

About 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide

2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide (PubChem CID 19318655) has the molecular formula C30H28N2O4S and a molecular weight of 512.63 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide
PubChem CID19318655
Molecular FormulaC30H28N2O4S
Molecular Weight512.63 g/mol
Exact Mass512.18
IUPAC Name2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)N(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H28N2O4S/c1-21(30(34)32(23-13-6-4-7-14-23)24-15-8-5-9-16-24)37-25-17-10-12-22(20-25)31-29(33)28-26(35-2)18-11-19-27(28)36-3/h4-21H,1-3H3,(H,31,33)
InChIKeySOVKNHZRJZIEAN-UHFFFAOYSA-N
XLogP6.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-1-(2,3-dimethoxyphenyl)-3-oxo-3-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19300389
2,6-dimethoxy-N-[3-[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907877
2,6-dimethoxy-N-[3-[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18907876
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
N-[3-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 18907907
ethyl 2-[2-[3-[(2,6-dimethoxybenzoyl)amino]phenyl]sulfanylpropanoylamino]-4-phenylthiophene-3-carboxylate
CID 18911896
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299242
N-[3-[1-[(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]-2,6-dimethoxybenzamide
CID 19299190
8-[[3-[1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18897310
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866
N-[(E)-1-(2,3-dimethoxyphenyl)-3-oxo-3-[3-[1-oxo-1-(N-phenylanilino)butan-2-yl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19300390

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide (CID 19318655) is 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(SC(C)C(=O)N(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide?
The InChIKey is SOVKNHZRJZIEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4S/c1-21(30(34)32(23-13-6-4-7-14-23)24-15-8-5-9-16-24)37-25-17-10-12-22(20-25)31-29(33)28-26(35-2)18-11-19-27(28)36-3/h4-21H,1-3H3,(H,31,33).
What are the key properties of 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide?
2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide has a molecular weight of 512.63 g/mol, XLogP of 6.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-[1-oxo-1-(N-phenylanilino)propan-2-yl]sulfanylphenyl]benzamide is sourced from PubChem (CID 19318655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).