4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide

C17H21NOS — CID 134028656

IUPAC4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)c2ccccc2)cc1CC
InChIInChI=1S/C17H21NOS/c1-4-9-15-13(5-2)12-16(20-15)17(19)18(3)14-10-7-6-8-11-14/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyOUGDZILMINNYCI-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.54
Rot. Bonds5

About 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide

4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide (PubChem CID 134028656) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide
PubChem CID134028656
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)c2ccccc2)cc1CC
InChIInChI=1S/C17H21NOS/c1-4-9-15-13(5-2)12-16(20-15)17(19)18(3)14-10-7-6-8-11-14/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyOUGDZILMINNYCI-UHFFFAOYSA-N
XLogP4.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
CID 47210170
4-ethyl-N-methyl-N-[(2-nitrophenyl)methyl]-5-propylthiophene-2-carboxamide
CID 112819464
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]acetic acid
CID 43354383
4-ethyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-propylthiophene-2-carboxamide
CID 9374448
(2-anilino-2-oxoethyl) 4-ethyl-5-propylthiophene-2-carboxylate
CID 7651356
4-ethyl-N-(2-methylphenyl)-5-propylthiophene-2-carboxamide
CID 26914221
N-methyl-N-phenyl-4-propylbenzamide
CID 47719630
4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide
CID 9186331
2-[4-(4-ethyl-5-propylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 39155556
4-ethyl-N-[2-(methylamino)ethyl]-5-propylthiophene-2-carboxamide
CID 119501880
2-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 79793352
N-(4-benzamido-2,5-dimethoxyphenyl)-4-ethyl-5-propylthiophene-2-carboxamide
CID 42088350

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide (CID 134028656) is 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)N(C)c2ccccc2)cc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide?
The InChIKey is OUGDZILMINNYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-9-15-13(5-2)12-16(20-15)17(19)18(3)14-10-7-6-8-11-14/h6-8,10-12H,4-5,9H2,1-3H3.
What are the key properties of 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide?
4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide has a molecular weight of 287.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 134028656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).