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

C18H27N3O3S — CID 1460375

IUPAC2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-4-15(23)21(13-8-6-5-7-9-13)10-14(22)20-18-16(17(19)24)11(2)12(3)25-18/h13H,4-10H2,1-3H3,(H2,19,24)(H,20,22)
InChIKeyQPNHHNYEADMPRC-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.97
Rot. Bonds6

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

2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460375) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460375
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-4-15(23)21(13-8-6-5-7-9-13)10-14(22)20-18-16(17(19)24)11(2)12(3)25-18/h13H,4-10H2,1-3H3,(H2,19,24)(H,20,22)
InChIKeyQPNHHNYEADMPRC-UHFFFAOYSA-N
XLogP2.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460375) is 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is CCC(=O)N(CC(=O)Nc1sc(C)c(C)c1C(N)=O)C1CCCCC1.
What is the InChIKey of 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is QPNHHNYEADMPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-4-15(23)21(13-8-6-5-7-9-13)10-14(22)20-18-16(17(19)24)11(2)12(3)25-18/h13H,4-10H2,1-3H3,(H2,19,24)(H,20,22).
What are the key properties of 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 365.50 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(propanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).