5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide

C15H16ClN3O2S — CID 71978167

IUPAC5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(Cc1cccs1)C(=O)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H16ClN3O2S/c1-19(9-11-3-2-6-22-11)14(20)8-18-13-5-4-10(16)7-12(13)15(17)21/h2-7,18H,8-9H2,1H3,(H2,17,21)
InChIKeyCBQNQQAKGUSBHY-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.57
Rot. Bonds6

About 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide

5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide (PubChem CID 71978167) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
PubChem CID71978167
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
SMILESCN(Cc1cccs1)C(=O)CNc1ccc(Cl)cc1C(N)=O
InChIInChI=1S/C15H16ClN3O2S/c1-19(9-11-3-2-6-22-11)14(20)8-18-13-5-4-10(16)7-12(13)15(17)21/h2-7,18H,8-9H2,1H3,(H2,17,21)
InChIKeyCBQNQQAKGUSBHY-UHFFFAOYSA-N
XLogP2.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(ethylamino)-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79489207
2-fluoro-N,N-dimethyl-5-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide
CID 71974174
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 55308044
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
5-chloro-2-[[2-(N-ethylanilino)-2-oxoethyl]amino]benzamide
CID 47077810
4-amino-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 43527540
5-chloro-N-cyclopropyl-2-hydrazinyl-N-(thiophen-2-ylmethyl)benzamide
CID 62242599
4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 62512507
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide (CID 71978167) is 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide is CN(Cc1cccs1)C(=O)CNc1ccc(Cl)cc1C(N)=O.
What is the InChIKey of 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
The InChIKey is CBQNQQAKGUSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-19(9-11-3-2-6-22-11)14(20)8-18-13-5-4-10(16)7-12(13)15(17)21/h2-7,18H,8-9H2,1H3,(H2,17,21).
What are the key properties of 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide?
5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide has a molecular weight of 337.83 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 71978167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).