(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

About (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 90952308) has the molecular formula C32H32N8O4S2 and a molecular weight of 656.79 g/mol. Its IUPAC name is (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID	90952308
Molecular Formula	C32H32N8O4S2
Molecular Weight	656.79 g/mol
Exact Mass	656.20
IUPAC Name	(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILES	Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C=Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3snnc3C)cc2)cc1
InChI	InChI=1S/C32H32N8O4S2/c1-19-27(45-37-35-19)31(43)39-17-3-5-25(39)29(41)33-23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)34-30(42)26-6-4-18-40(26)32(44)28-20(2)36-38-46-28/h7-16,25-26H,3-6,17-18H2,1-2H3,(H,33,41)(H,34,42)/t25-,26-/m0/s1
InChIKey	OJFFGTSUILJCKQ-UIOOFZCWSA-N
XLogP	4.66
TPSA	150.38 Å²
H-Bond Donors	2
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	46
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.79
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'stilbene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (CID 90952308) is (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is Cc1nnsc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C=Cc2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3snnc3C)cc2)cc1.

What is the InChIKey of (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is OJFFGTSUILJCKQ-UIOOFZCWSA-N. The full InChI is InChI=1S/C32H32N8O4S2/c1-19-27(45-37-35-19)31(43)39-17-3-5-25(39)29(41)33-23-13-9-21(10-14-23)7-8-22-11-15-24(16-12-22)34-30(42)26-6-4-18-40(26)32(44)28-20(2)36-38-46-28/h7-16,25-26H,3-6,17-18H2,1-2H3,(H,33,41)(H,34,42)/t25-,26-/m0/s1.

What are the key properties of (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?

(2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 656.79 g/mol, XLogP of 4.66, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-(4-methylthiadiazole-5-carbonyl)-N-[4-[2-[4-[[(2S)-1-(4-methylthiadiazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90952308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).