N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide

C16H17N3O2S — CID 71797244

IUPACN-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2nc(-c3ccco3)cn2C)c1
InChIInChI=1S/C16H17N3O2S/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20)
InChIKeyBMOQPKVAVUTMBJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.02
Rot. Bonds5

About N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide

N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide (PubChem CID 71797244) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide
PubChem CID71797244
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCCc2nc(-c3ccco3)cn2C)c1
InChIInChI=1S/C16H17N3O2S/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20)
InChIKeyBMOQPKVAVUTMBJ-UHFFFAOYSA-N
XLogP3.02
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide (CID 71797244) is N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCCc2nc(-c3ccco3)cn2C)c1.
What is the InChIKey of N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide?
The InChIKey is BMOQPKVAVUTMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-8-14(22-10-11)16(20)17-6-5-15-18-12(9-19(15)2)13-4-3-7-21-13/h3-4,7-10H,5-6H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide?
N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)-1-methylimidazol-2-yl]ethyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71797244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).