cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

C18H24N2O4S — CID 33325651

About cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (PubChem CID 33325651) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
• PubChem CID: 33325651
• Molecular Formula: C18H24N2O4S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.15
• IUPAC Name: cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
• SMILES: CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)C1(C)C
• InChI: InChI=1S/C18H24N2O4S/c1-9(2)8-12-13(18(12,4)5)17(23)24-10(3)15(22)20-16-11(14(19)21)6-7-25-16/h6-8,10,12-13H,1-5H3,(H2,19,21)(H,20,22)/t10-,12+,13-/m0/s1
• InChIKey: PVEZMDWDYYETNA-UHTWSYAYSA-N
• XLogP: 2.96
• TPSA: 98.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

The IUPAC name of cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate (CID 33325651) is cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

What is the SMILES notation for cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

The canonical SMILES for cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is CC(C)=C[C@@H]1[C@@H](C(=O)O[C@@H](C)C(=O)Nc2sccc2C(N)=O)C1(C)C.

What is the InChIKey of cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

The InChIKey is PVEZMDWDYYETNA-UHTWSYAYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-9(2)8-12-13(18(12,4)5)17(23)24-10(3)15(22)20-16-11(14(19)21)6-7-25-16/h6-8,10,12-13H,1-5H3,(H2,19,21)(H,20,22)/t10-,12+,13-/m0/s1.

What are the key properties of cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate?

cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate has a molecular weight of 364.47 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 33325651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).