2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C17H25N3O3S — CID 1460374

IUPAC2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-4-14(22)20(12-7-5-6-8-12)9-13(21)19-17-15(16(18)23)10(2)11(3)24-17/h12H,4-9H2,1-3H3,(H2,18,23)(H,19,21)
InChIKeyYBJZNKVVDSUNJC-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.58
Rot. Bonds6

About 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460374) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460374
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1
InChIInChI=1S/C17H25N3O3S/c1-4-14(22)20(12-7-5-6-8-12)9-13(21)19-17-15(16(18)23)10(2)11(3)24-17/h12H,4-9H2,1-3H3,(H2,18,23)(H,19,21)
InChIKeyYBJZNKVVDSUNJC-UHFFFAOYSA-N
XLogP2.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460374) is 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCC1.
What is the InChIKey of 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is YBJZNKVVDSUNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-4-14(22)20(12-7-5-6-8-12)9-13(21)19-17-15(16(18)23)10(2)11(3)24-17/h12H,4-9H2,1-3H3,(H2,18,23)(H,19,21).
What are the key properties of 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).