N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide

C20H26N2O2S — CID 55749299

IUPACN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(C(=O)NC(C)CC)c2)sc1C
InChIInChI=1S/C20H26N2O2S/c1-5-13(3)22-19(23)17-9-7-8-15(10-17)12-21-20(24)18-11-16(6-2)14(4)25-18/h7-11,13H,5-6,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyKRBUEJDPTYFUQK-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.08
Rot. Bonds7

About N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 55749299) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID55749299
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCc2cccc(C(=O)NC(C)CC)c2)sc1C
InChIInChI=1S/C20H26N2O2S/c1-5-13(3)22-19(23)17-9-7-8-15(10-17)12-21-20(24)18-11-16(6-2)14(4)25-18/h7-11,13H,5-6,12H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyKRBUEJDPTYFUQK-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-iodo-3-methylbenzamide
CID 55749335
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
CID 166272217
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729
N-butan-2-yl-3-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 55749397
N-butan-2-yl-3-[(3-phenylpropanoylamino)methyl]benzamide
CID 47043715
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2,4-dichlorobenzamide
CID 55749266
3-[(4-aminopentanoylamino)methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 120560222

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide (CID 55749299) is N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCc2cccc(C(=O)NC(C)CC)c2)sc1C.
What is the InChIKey of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is KRBUEJDPTYFUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-5-13(3)22-19(23)17-9-7-8-15(10-17)12-21-20(24)18-11-16(6-2)14(4)25-18/h7-11,13H,5-6,12H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide?
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 358.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 55749299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).