2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C20H23N3O3S — CID 1460393

IUPAC2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C2CC2)c(C(N)=O)c1C
InChIInChI=1S/C20H23N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(20(26)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyOEPYVKFIBGVYOP-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.84
Rot. Bonds7

About 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460393) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460393
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C2CC2)c(C(N)=O)c1C
InChIInChI=1S/C20H23N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(20(26)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyOEPYVKFIBGVYOP-UHFFFAOYSA-N
XLogP2.84
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460393) is 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(Cc2ccccc2)C(=O)C2CC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is OEPYVKFIBGVYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(20(26)15-8-9-15)10-14-6-4-3-5-7-14/h3-7,15H,8-11H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).