N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide

C18H23NOS — CID 112817740

IUPACN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3
InChIKeyNBXJSDZONJMKBK-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.84
Rot. Bonds5

About N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide

N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 112817740) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID112817740
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1
InChIInChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3
InChIKeyNBXJSDZONJMKBK-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119494952
N-[2-(methylamino)ethyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 119500045
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 8923408
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
CID 54987860
(2S)-4-methyl-2-[[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120694342
3-(4-methylphenyl)-N-prop-2-enylthiophene-2-carboxamide
CID 9399962
N-ethyl-5-methyl-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62509677
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
2-amino-N-ethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 62788372
4-[ethyl(2-methylpropyl)carbamoyl]benzoic acid
CID 43452953
N-[2-(dimethylamino)ethyl]-3-(3-hydroxyprop-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63798421
N-[2-[[3-(4-methylphenyl)thiophene-2-carbonyl]amino]ethyl]furan-2-carboxamide
CID 38275560

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide (CID 112817740) is N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide is CCN(CC(C)C)C(=O)c1sccc1-c1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is NBXJSDZONJMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-5-19(12-13(2)3)18(20)17-16(10-11-21-17)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide?
N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 301.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 112817740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).