N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide

C20H20N4O2S2 — CID 654825

IUPACN-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C20H20N4O2S2/c25-19(21-11-10-14-5-2-1-3-6-14)18(17-7-4-12-27-17)24(15-8-9-15)20(26)16-13-28-23-22-16/h1-7,12-13,15,18H,8-11H2,(H,21,25)
InChIKeyNNIXVUGBUAOGKJ-UHFFFAOYSA-N
MW412.54 g/mol
LogP3.30
Rot. Bonds8

About N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide

N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide (PubChem CID 654825) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
PubChem CID654825
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC NameN-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide
SMILESO=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C20H20N4O2S2/c25-19(21-11-10-14-5-2-1-3-6-14)18(17-7-4-12-27-17)24(15-8-9-15)20(26)16-13-28-23-22-16/h1-7,12-13,15,18H,8-11H2,(H,21,25)
InChIKeyNNIXVUGBUAOGKJ-UHFFFAOYSA-N
XLogP3.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide (CID 654825) is N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide is O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is NNIXVUGBUAOGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c25-19(21-11-10-14-5-2-1-3-6-14)18(17-7-4-12-27-17)24(15-8-9-15)20(26)16-13-28-23-22-16/h1-7,12-13,15,18H,8-11H2,(H,21,25).
What are the key properties of N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide?
N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 654825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).