3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

C20H15Cl2N3O2S — CID 18913238

IUPAC3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2cccc(Cl)c2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H15Cl2N3O2S/c21-14-4-1-3-13(9-14)20(27)24-16-5-2-6-17(10-16)28-12-19(26)25-18-8-7-15(22)11-23-18/h1-11H,12H2,(H,24,27)(H,23,25,26)
InChIKeyWNRYCTNVAVLSNE-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.37
Rot. Bonds6

About 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide

3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (PubChem CID 18913238) has the molecular formula C20H15Cl2N3O2S and a molecular weight of 432.33 g/mol. Its IUPAC name is 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
PubChem CID18913238
Molecular FormulaC20H15Cl2N3O2S
Molecular Weight432.33 g/mol
Exact Mass431.03
IUPAC Name3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
SMILESO=C(CSc1cccc(NC(=O)c2cccc(Cl)c2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C20H15Cl2N3O2S/c21-14-4-1-3-13(9-14)20(27)24-16-5-2-6-17(10-16)28-12-19(26)25-18-8-7-15(22)11-23-18/h1-11H,12H2,(H,24,27)(H,23,25,26)
InChIKeyWNRYCTNVAVLSNE-UHFFFAOYSA-N
XLogP5.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 19298990
2,4-dichloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18912590
8-[[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid
CID 18898946
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methylbenzamide
CID 22775886
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]-3-methoxybenzamide
CID 22778750
3-chloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 18904756
3-chloro-N-[3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 18913239
3-benzamido-N-(5-chloro-2-pyridinyl)benzamide
CID 3929829
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905041
N-(5-chloro-2-pyridinyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 47152631
N-[3-[2-(3-chloroanilino)-2-oxoethyl]sulfanylphenyl]-4-methylbenzamide
CID 18907057

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide (CID 18913238) is 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is O=C(CSc1cccc(NC(=O)c2cccc(Cl)c2)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
The InChIKey is WNRYCTNVAVLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2S/c21-14-4-1-3-13(9-14)20(27)24-16-5-2-6-17(10-16)28-12-19(26)25-18-8-7-15(22)11-23-18/h1-11H,12H2,(H,24,27)(H,23,25,26).
What are the key properties of 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide?
3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide has a molecular weight of 432.33 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18913238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).