N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

C21H22N4O2S — CID 1341172

IUPACN-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H22N4O2S/c1-2-9-19-24-25-21(28-19)23-18(26)14-17(15-10-5-3-6-11-15)22-20(27)16-12-7-4-8-13-16/h3-8,10-13,17H,2,9,14H2,1H3,(H,22,27)(H,23,25,26)/t17-/m1/s1
InChIKeyDPACIMDFFFVIGK-QGZVFWFLSA-N
MW394.50 g/mol
LogP3.99
Rot. Bonds8

About N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide

N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (PubChem CID 1341172) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
PubChem CID1341172
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
SMILESCCCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1
InChIInChI=1S/C21H22N4O2S/c1-2-9-19-24-25-21(28-19)23-18(26)14-17(15-10-5-3-6-11-15)22-20(27)16-12-7-4-8-13-16/h3-8,10-13,17H,2,9,14H2,1H3,(H,22,27)(H,23,25,26)/t17-/m1/s1
InChIKeyDPACIMDFFFVIGK-QGZVFWFLSA-N
XLogP3.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
CID 8881883
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793
N-[(1S)-3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 41251909
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
2-chloro-N-[(1S)-3-oxo-3-[(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)amino]-1-phenylpropyl]benzamide
CID 2079583
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
N-[(1S)-3-(4-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7899822
N-[(1R)-3-[[2-(ethylamino)-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 9224578
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The IUPAC name of N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide (CID 1341172) is N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide.
What is the SMILES notation for N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The canonical SMILES for N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is CCCc1nnc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)s1.
What is the InChIKey of N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
The InChIKey is DPACIMDFFFVIGK-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-9-19-24-25-21(28-19)23-18(26)14-17(15-10-5-3-6-11-15)22-20(27)16-12-7-4-8-13-16/h3-8,10-13,17H,2,9,14H2,1H3,(H,22,27)(H,23,25,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide?
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide has a molecular weight of 394.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 1341172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).