7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide

C20H27NOS — CID 15667483

IUPAC7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
SMILESNC(=O)CCCCCCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C20H27NOS/c21-20(22)14-7-2-1-6-12-18-15-16-19(23-18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H2,21,22)
InChIKeyOANMCFQJZWJXEL-UHFFFAOYSA-N
MW329.51 g/mol
LogP4.90
Rot. Bonds11

About 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide

7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide (PubChem CID 15667483) has the molecular formula C20H27NOS and a molecular weight of 329.51 g/mol. Its IUPAC name is 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide.

Molecular Properties

Compound Name7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
PubChem CID15667483
Molecular FormulaC20H27NOS
Molecular Weight329.51 g/mol
Exact Mass329.18
IUPAC Name7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide
SMILESNC(=O)CCCCCCc1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C20H27NOS/c21-20(22)14-7-2-1-6-12-18-15-16-19(23-18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H2,21,22)
InChIKeyOANMCFQJZWJXEL-UHFFFAOYSA-N
XLogP4.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;5-[5-(6-phenylhexyl)thiophen-2-yl]pentanoic acid
CID 173398907
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
2,2-dimethyl-7-[5-(3-phenylpropyl)thiophen-2-yl]heptanoic acid
CID 15667459
8-[5-(4-carboxybutyl)thiophen-2-yl]octanoic acid
CID 4270643
carbonic acid;3-phenylpropanamide
CID 174965682
5-[5-(5-phenylpentanoyl)thiophen-2-yl]pentylphosphonic acid
CID 141073841
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
15-phenylpentadecanoic acid
CID 2737151
carbanide;3-phenylpropanamide;yttrium
CID 160557542
(2R)-1-amino-2-methyl-4-[5-(5-phenylpentyl)thiophen-2-yl]butan-1-ol;oxalic acid
CID 20721232
1,9-diphenylnonan-5-one
CID 23467830
2-iodo-5-(4-phenylbutyl)thiophene
CID 142912255

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide?
The IUPAC name of 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide (CID 15667483) is 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide.
What is the SMILES notation for 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide?
The canonical SMILES for 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide is NC(=O)CCCCCCc1ccc(CCCc2ccccc2)s1.
What is the InChIKey of 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide?
The InChIKey is OANMCFQJZWJXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NOS/c21-20(22)14-7-2-1-6-12-18-15-16-19(23-18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,1-2,6-8,11-14H2,(H2,21,22).
What are the key properties of 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide?
7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide has a molecular weight of 329.51 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-phenylpropyl)thiophen-2-yl]heptanamide is sourced from PubChem (CID 15667483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).