(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C18H15F3N4O3S2 — CID 35568353

IUPAC(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H15F3N4O3S2/c1-11(25-30(27,28)14-10-6-5-9-13(14)18(19,20)21)15(26)22-17-24-23-16(29-17)12-7-3-2-4-8-12/h2-11,25H,1H3,(H,22,24,26)/t11-/m0/s1
InChIKeyDIDDVOCSMPGSQA-NSHDSACASA-N
MW456.47 g/mol
LogP3.53
Rot. Bonds6

About (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide

(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 35568353) has the molecular formula C18H15F3N4O3S2 and a molecular weight of 456.47 g/mol. Its IUPAC name is (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID35568353
Molecular FormulaC18H15F3N4O3S2
Molecular Weight456.47 g/mol
Exact Mass456.05
IUPAC Name(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H15F3N4O3S2/c1-11(25-30(27,28)14-10-6-5-9-13(14)18(19,20)21)15(26)22-17-24-23-16(29-17)12-7-3-2-4-8-12/h2-11,25H,1H3,(H,22,24,26)/t11-/m0/s1
InChIKeyDIDDVOCSMPGSQA-NSHDSACASA-N
XLogP3.53
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
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(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
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2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
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ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
N-(1H-benzimidazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 35568353) is (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is DIDDVOCSMPGSQA-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F3N4O3S2/c1-11(25-30(27,28)14-10-6-5-9-13(14)18(19,20)21)15(26)22-17-24-23-16(29-17)12-7-3-2-4-8-12/h2-11,25H,1H3,(H,22,24,26)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
(2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 456.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 35568353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).