2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

C15H17ClN4O2S2 — CID 51154396

IUPAC2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H17ClN4O2S2/c1-9-19-20-15(24-9)18-14(22)12(7-8-23-2)17-13(21)10-5-3-4-6-11(10)16/h3-6,12H,7-8H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPDAMLCJSXPESSC-UHFFFAOYSA-N
MW384.91 g/mol
LogP2.99
Rot. Bonds7

About 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide

2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (PubChem CID 51154396) has the molecular formula C15H17ClN4O2S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
PubChem CID51154396
Molecular FormulaC15H17ClN4O2S2
Molecular Weight384.91 g/mol
Exact Mass384.05
IUPAC Name2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SMILESCSCCC(NC(=O)c1ccccc1Cl)C(=O)Nc1nnc(C)s1
InChIInChI=1S/C15H17ClN4O2S2/c1-9-19-20-15(24-9)18-14(22)12(7-8-23-2)17-13(21)10-5-3-4-6-11(10)16/h3-6,12H,7-8H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyPDAMLCJSXPESSC-UHFFFAOYSA-N
XLogP2.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(2R)-4-methylsulfanyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2463723
2-chloro-N-[4-methylsulfanyl-1-[(5-octyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 43052393
methyl 4-[[5-[[(2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 98404055
methyl 4-[[5-[[(2R)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate
CID 98404054
2-chloro-N-[1-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55958708
2-chloro-N-[(2S)-1-(cyclopropylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 7973515
N-[(2R)-1-(4-carbamoylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide
CID 26636597
2,4-dichloro-N-[4-methylsulfanyl-1-oxo-1-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]butan-2-yl]benzamide
CID 55636626
2-chloro-N-[4-methylsulfanyl-1-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]-1-oxobutan-2-yl]benzamide
CID 56555587
2-chloro-N-[4-methylsulfanyl-1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 24568857
methyl 4-[[(2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate
CID 7965942
2-chloro-N-[(2S)-1-(3-chloro-4-fluoroanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 7973729

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide (CID 51154396) is 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is CSCCC(NC(=O)c1ccccc1Cl)C(=O)Nc1nnc(C)s1.
What is the InChIKey of 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is PDAMLCJSXPESSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S2/c1-9-19-20-15(24-9)18-14(22)12(7-8-23-2)17-13(21)10-5-3-4-6-11(10)16/h3-6,12H,7-8H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide?
2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 384.91 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methylsulfanyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51154396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).