2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C20H29N3O3S — CID 1460420

IUPAC2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C2CCC2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C20H29N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(15-9-4-3-5-10-15)20(26)14-7-6-8-14/h14-15H,3-11H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyKXJRMVIIMXSBAA-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.36
Rot. Bonds6

About 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460420) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460420
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C2CCC2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C20H29N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(15-9-4-3-5-10-15)20(26)14-7-6-8-14/h14-15H,3-11H2,1-2H3,(H2,21,25)(H,22,24)
InChIKeyKXJRMVIIMXSBAA-UHFFFAOYSA-N
XLogP3.36
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460420) is 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(C(=O)C2CCC2)C2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is KXJRMVIIMXSBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-12-13(2)27-19(17(12)18(21)25)22-16(24)11-23(15-9-4-3-5-10-15)20(26)14-7-6-8-14/h14-15H,3-11H2,1-2H3,(H2,21,25)(H,22,24).
What are the key properties of 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclobutanecarbonyl(cyclohexyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).