N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

C23H19N3O2S — CID 8881883

IUPACN-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C23H19N3O2S/c27-21(26-23-25-18-13-7-8-14-20(18)29-23)15-19(16-9-3-1-4-10-16)24-22(28)17-11-5-2-6-12-17/h1-14,19H,15H2,(H,24,28)(H,25,26,27)/t19-/m0/s1
InChIKeyLAARRCSBKFHSCM-IBGZPJMESA-N
MW401.49 g/mol
LogP4.80
Rot. Bonds6

About N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide

N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 8881883) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID8881883
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1
InChIInChI=1S/C23H19N3O2S/c27-21(26-23-25-18-13-7-8-14-20(18)29-23)15-19(16-9-3-1-4-10-16)24-22(28)17-11-5-2-6-12-17/h1-14,19H,15H2,(H,24,28)(H,25,26,27)/t19-/m0/s1
InChIKeyLAARRCSBKFHSCM-IBGZPJMESA-N
XLogP4.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1,3-benzothiazol-2-ylamino)-1-(3-methoxyphenyl)-3-oxopropyl]benzamide
CID 4289742
N-[(1R)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]-2-chlorobenzamide
CID 2081100
N-[(1R)-3-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 1135920
3-acetamido-N-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)propanamide
CID 51309529
N-[(1R)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 2113874
3-amino-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 24699724
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366
1,3-benzothiazol-2-ylmethyl (3S)-3-benzamido-3-phenylpropanoate
CID 7214705
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide (CID 8881883) is N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1.
What is the InChIKey of N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is LAARRCSBKFHSCM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H19N3O2S/c27-21(26-23-25-18-13-7-8-14-20(18)29-23)15-19(16-9-3-1-4-10-16)24-22(28)17-11-5-2-6-12-17/h1-14,19H,15H2,(H,24,28)(H,25,26,27)/t19-/m0/s1.
What are the key properties of N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-(1,3-benzothiazol-2-ylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 8881883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).