N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide

C17H17N3OS — CID 110735617

IUPACN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCc1ncc(-c2cccc(NC(=O)CCc3cccs3)c2)[nH]1
InChIInChI=1S/C17H17N3OS/c1-12-18-11-16(19-12)13-4-2-5-14(10-13)20-17(21)8-7-15-6-3-9-22-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyLJWWKVQPKCSVBJ-UHFFFAOYSA-N
MW311.41 g/mol
LogP4.02
Rot. Bonds5

About N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide

N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 110735617) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID110735617
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC NameN-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCc1ncc(-c2cccc(NC(=O)CCc3cccs3)c2)[nH]1
InChIInChI=1S/C17H17N3OS/c1-12-18-11-16(19-12)13-4-2-5-14(10-13)20-17(21)8-7-15-6-3-9-22-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21)
InChIKeyLJWWKVQPKCSVBJ-UHFFFAOYSA-N
XLogP4.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-2-phenoxyacetamide
CID 110735606
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CID 17436122
2-[3-(3-thiophen-2-ylpropanoylamino)phenoxy]acetic acid
CID 61058454
N-(1H-indazol-5-yl)-3-thiophen-2-ylpropanamide
CID 134050773
N-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropanamide
CID 38370894
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanesulfonamide
CID 110735632
N-(5-phenyl-2-pyridinyl)-3-thiophen-2-ylpropanamide
CID 110634655
1-[3-(2-methyl-1H-imidazol-5-yl)phenyl]ethanone
CID 39805487
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
4-(3-thiophen-2-ylpropanoylamino)benzamide
CID 8571859
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide (CID 110735617) is N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide is Cc1ncc(-c2cccc(NC(=O)CCc3cccs3)c2)[nH]1.
What is the InChIKey of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is LJWWKVQPKCSVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-18-11-16(19-12)13-4-2-5-14(10-13)20-17(21)8-7-15-6-3-9-22-15/h2-6,9-11H,7-8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide?
N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 311.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methyl-1H-imidazol-5-yl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110735617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).