N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide

C20H24N4OS — CID 50955335

IUPACN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C20H24N4OS/c1-3-23(14-16-12-22-24(4-2)15-16)20(25)17-7-5-8-18(11-17)21-13-19-9-6-10-26-19/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyHBBJCMQCEHJSNC-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.24
Rot. Bonds8

About N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide (PubChem CID 50955335) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
PubChem CID50955335
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1cccc(NCc2cccs2)c1
InChIInChI=1S/C20H24N4OS/c1-3-23(14-16-12-22-24(4-2)15-16)20(25)17-7-5-8-18(11-17)21-13-19-9-6-10-26-19/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyHBBJCMQCEHJSNC-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 1247202
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide (CID 50955335) is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide is CCN(Cc1cnn(CC)c1)C(=O)c1cccc(NCc2cccs2)c1.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
The InChIKey is HBBJCMQCEHJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-3-23(14-16-12-22-24(4-2)15-16)20(25)17-7-5-8-18(11-17)21-13-19-9-6-10-26-19/h5-12,15,21H,3-4,13-14H2,1-2H3.
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide?
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide has a molecular weight of 368.51 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide is sourced from PubChem (CID 50955335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).