3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide

C19H20N4O2S — CID 51125355

IUPAC3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nncs1
InChIInChI=1S/C19H20N4O2S/c1-12(2)17(18(25)22-19-23-20-11-26-19)21-16(24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyYWFCFCZHUSBJKG-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.01
Rot. Bonds6

About 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 51125355) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID51125355
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nncs1
InChIInChI=1S/C19H20N4O2S/c1-12(2)17(18(25)22-19-23-20-11-26-19)21-16(24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKeyYWFCFCZHUSBJKG-UHFFFAOYSA-N
XLogP3.01
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
3-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 74654559
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
2-bromo-N-[3-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]benzamide
CID 43045754
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
(2S)-2-(2-chloroethylcarbamoylamino)-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 13037972
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575678

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 51125355) is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1nncs1.
What is the InChIKey of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is YWFCFCZHUSBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-12(2)17(18(25)22-19-23-20-11-26-19)21-16(24)10-13-7-8-14-5-3-4-6-15(14)9-13/h3-9,11-12,17H,10H2,1-2H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide?
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 368.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 51125355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).