N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

C18H18N4O2S — CID 52723262

IUPACN-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C18H18N4O2S/c23-17(8-2-6-16-7-3-9-25-16)21-14-5-1-4-13(10-14)18(24)22-15-11-19-20-12-15/h1,3-5,7,9-12H,2,6,8H2,(H,19,20)(H,21,23)(H,22,24)
InChIKeyJUFWVGNVGPIYBC-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.68
Rot. Bonds7

About N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 52723262) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID52723262
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESO=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2cn[nH]c2)c1
InChIInChI=1S/C18H18N4O2S/c23-17(8-2-6-16-7-3-9-25-16)21-14-5-1-4-13(10-14)18(24)22-15-11-19-20-12-15/h1,3-5,7,9-12H,2,6,8H2,(H,19,20)(H,21,23)(H,22,24)
InChIKeyJUFWVGNVGPIYBC-UHFFFAOYSA-N
XLogP3.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
N-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
(2S)-2-[[3-(4-thiophen-2-ylbutanoylamino)benzoyl]amino]propanoic acid
CID 119238490
N-(2-amino-2-methylpropyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119629762
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213
3-(3-thiophen-2-ylpropanoylamino)benzamide
CID 17436122
N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 56577546

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 52723262) is N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is O=C(CCCc1cccs1)Nc1cccc(C(=O)Nc2cn[nH]c2)c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is JUFWVGNVGPIYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-17(8-2-6-16-7-3-9-25-16)21-14-5-1-4-13(10-14)18(24)22-15-11-19-20-12-15/h1,3-5,7,9-12H,2,6,8H2,(H,19,20)(H,21,23)(H,22,24).
What are the key properties of N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 354.44 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 52723262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).