N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

C21H21N3O2S — CID 52723792

IUPACN-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C21H21N3O2S/c1-15-6-4-12-22-20(15)24-21(26)16-7-2-8-17(14-16)23-19(25)11-3-9-18-10-5-13-27-18/h2,4-8,10,12-14H,3,9,11H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyKSNDMVZBSWNLAX-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.67
Rot. Bonds7

About N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide

N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 52723792) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID52723792
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCc1cccnc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1
InChIInChI=1S/C21H21N3O2S/c1-15-6-4-12-22-20(15)24-21(26)16-7-2-8-17(14-16)23-19(25)11-3-9-18-10-5-13-27-18/h2,4-8,10,12-14H,3,9,11H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyKSNDMVZBSWNLAX-UHFFFAOYSA-N
XLogP4.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723262
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
(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-(3-benzoylphenyl)-4-thiophen-2-ylbutanamide
CID 47092796
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-[(4-methylsulfonylphenyl)methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961656
N-(4-aminocyclohexyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119478213

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 52723792) is N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is Cc1cccnc1NC(=O)c1cccc(NC(=O)CCCc2cccs2)c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is KSNDMVZBSWNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-6-4-12-22-20(15)24-21(26)16-7-2-8-17(14-16)23-19(25)11-3-9-18-10-5-13-27-18/h2,4-8,10,12-14H,3,9,11H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide has a molecular weight of 379.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 52723792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).