N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide

C21H21NOS — CID 2530538

IUPACN-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NOS/c1-16-13-15-24-20(16)21(23)22-14-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,19H,12,14H2,1H3,(H,22,23)
InChIKeyMCIHVKKJUYXUEM-UHFFFAOYSA-N
MW335.47 g/mol
LogP5.01
Rot. Bonds6

About N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide

N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide (PubChem CID 2530538) has the molecular formula C21H21NOS and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
PubChem CID2530538
Molecular FormulaC21H21NOS
Molecular Weight335.47 g/mol
Exact Mass335.13
IUPAC NameN-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NOS/c1-16-13-15-24-20(16)21(23)22-14-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,19H,12,14H2,1H3,(H,22,23)
InChIKeyMCIHVKKJUYXUEM-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(4-methylphenyl)methyl]thiophene-2-carboxamide
CID 841341
5-methyl-N-(4-methylbenzyl)-2-thiophenecarboxamide
CID 1224525
N-(2-ethylhexyl)-2-thiophenecarboxamide
CID 2915198
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
4-methyl-N-[2-(2-thienyl)ethyl]benzamide
CID 1511023
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide (CID 2530538) is N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide?
The InChIKey is MCIHVKKJUYXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NOS/c1-16-13-15-24-20(16)21(23)22-14-12-19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13,15,19H,12,14H2,1H3,(H,22,23).
What are the key properties of N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide?
N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide has a molecular weight of 335.47 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 2530538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).