2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide

C21H19NO3S — CID 1007805

IUPAC2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-8-13-18(25-2)20(17)21(23)22-16-11-6-7-14-19(16)26-15-9-4-3-5-10-15/h3-14H,1-2H3,(H,22,23)
InChIKeyCTAURLRMQFCKCR-UHFFFAOYSA-N
MW365.45 g/mol
LogP5.11
Rot. Bonds6

About 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide

2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 1007805) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID1007805
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C21H19NO3S/c1-24-17-12-8-13-18(25-2)20(17)21(23)22-16-11-6-7-14-19(16)26-15-9-4-3-5-10-15/h3-14H,1-2H3,(H,22,23)
InChIKeyCTAURLRMQFCKCR-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(4-methylphenyl)-4-(methylthio)benzamide
CID 842272
N-(4-ethoxyphenyl)-2,6-dimethoxybenzamide
CID 668882
ethyl 2-(10H-phenothiazin-10-ylcarbonyl)phenyl ether
CID 753236
(2-methoxyphenyl)(10H-phenothiazin-10-yl)methanone
CID 695276
2-Methoxy-N-(2-((3-((trifluoromethyl)thio)phenyl)carbamoyl)phenyl)benzamide
CID 56593315
2-methoxy-4-(methylsulfanyl)-N-phenylbenzamide
CID 669865
2-methoxy-N-[3-(methylsulfanyl)phenyl]benzamide
CID 900514
N-[2-[(2,6-dimethoxybenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 2803943
(2,4-Dimethoxyphenyl)-phenothiazin-10-ylmethanone
CID 3478672
4-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]-N-phenylbenzamide
CID 10070582
3-[(E)-3-oxo-3-(2,4,6-trimethoxyphenyl)prop-1-enyl]-N-phenylbenzamide
CID 10251397
N-{4-[(2-methoxybenzoyl)amino]phenyl}-2-thiophenecarboxamide
CID 1166294

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide (CID 1007805) is 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide is COc1cccc(OC)c1C(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is CTAURLRMQFCKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-24-17-12-8-13-18(25-2)20(17)21(23)22-16-11-6-7-14-19(16)26-15-9-4-3-5-10-15/h3-14H,1-2H3,(H,22,23).
What are the key properties of 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide?
2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 365.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 1007805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).