N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide

C20H15Cl2N3O2S — CID 12912870

IUPACN-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-15-7-4-8-16(22)18(15)19(26)25-20(27)24-14-9-10-17(23-11-14)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,24,25,26,27)
InChIKeyUCGIZPATBSWURU-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.64
Rot. Bonds5

About N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide

N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide (PubChem CID 12912870) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide.

Molecular Properties

Compound NameN-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
PubChem CID12912870
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC NameN-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(SCc2ccccc2)nc1
InChIInChI=1S/C20H15Cl2N3O2S/c21-15-7-4-8-16(22)18(15)19(26)25-20(27)24-14-9-10-17(23-11-14)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,24,25,26,27)
InChIKeyUCGIZPATBSWURU-UHFFFAOYSA-N
XLogP5.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dichloro-N-[(6-phenyl-3-pyridinyl)carbamoyl]benzamide
CID 13242737
2,6-dichloro-N-[[6-(3-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]benzamide
CID 12912757
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
N-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]carbamoyl]-2,6-difluorobenzamide
CID 12912845
2,6-dichloro-N-[[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]benzamide
CID 12912773
2,6-dichloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113247998
2,6-dimethoxy-N-[(6-phenylmethoxy-3-pyridinyl)carbamoyl]benzamide
CID 12912868
1-[(3-chlorophenyl)methyl]-3-(6-ethylsulfanyl-3-pyridinyl)urea
CID 60603062
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
N-[[6-[4-chloro-3-(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 19072615
2,6-dichloro-N-[[4-(2,3-dichlorocyclopropyl)phenyl]carbamoyl]benzamide
CID 19006403
2,6-dichloro-N-[(5-chloro-2-pyridinyl)carbamoyl]benzamide
CID 23345083

Frequently Asked Questions

What is the IUPAC name of N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide?
The IUPAC name of N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide (CID 12912870) is N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide.
What is the SMILES notation for N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide?
The canonical SMILES for N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(SCc2ccccc2)nc1.
What is the InChIKey of N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide?
The InChIKey is UCGIZPATBSWURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-15-7-4-8-16(22)18(15)19(26)25-20(27)24-14-9-10-17(23-11-14)28-12-13-5-2-1-3-6-13/h1-11H,12H2,(H2,24,25,26,27).
What are the key properties of N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide?
N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide has a molecular weight of 432.33 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-benzylsulfanyl-3-pyridinyl)carbamoyl]-2,6-dichlorobenzamide is sourced from PubChem (CID 12912870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).