N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide

C18H23NOS — CID 24550071

IUPACN-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1ccc(CCCNC(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C18H23NOS/c1-12-7-8-16(13(2)10-12)6-5-9-19-18(20)17-11-14(3)21-15(17)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyFHGOYVRURDSRNQ-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.34
Rot. Bonds5

About N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide

N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 24550071) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID24550071
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCc1ccc(CCCNC(=O)c2cc(C)sc2C)c(C)c1
InChIInChI=1S/C18H23NOS/c1-12-7-8-16(13(2)10-12)6-5-9-19-18(20)17-11-14(3)21-15(17)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyFHGOYVRURDSRNQ-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.34
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

N-[3-(2,4-dimethylphenyl)propyl]furan-3-carboxamide
CID 24532417
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 38901273
4-(2-amino-2-oxoethoxy)-N-[3-(2,4-dimethylphenyl)propyl]benzamide
CID 24550092
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
N-[3-(4-fluorophenyl)propyl]-2,4-dimethylbenzamide
CID 100720245
N-[4-(4-fluorophenoxy)butyl]-2,5-dimethylthiophene-3-carboxamide
CID 32644414
N-(4-iodobutyl)-2,4-dimethylbenzamide
CID 106846408
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
3-(2,4-dimethylphenyl)-N-iodopropan-1-amine;ethane
CID 145450537
2-[(2,5-dimethylthiophene-3-carbonyl)amino]acetic acid
CID 43354495
methyl N-[2-(2,4-dimethylphenyl)ethyl]carbamate
CID 110787753

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide (CID 24550071) is N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide is Cc1ccc(CCCNC(=O)c2cc(C)sc2C)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is FHGOYVRURDSRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-12-7-8-16(13(2)10-12)6-5-9-19-18(20)17-11-14(3)21-15(17)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide?
N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)propyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 24550071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).