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

C21H21N3O2S — CID 52723788

IUPACN-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1
InChIInChI=1S/C21H21N3O2S/c1-15-10-11-22-19(13-15)24-21(26)16-5-2-6-17(14-16)23-20(25)9-3-7-18-8-4-12-27-18/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyFHWJUJQEIDTHTO-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.67
Rot. Bonds7

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

N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (PubChem CID 52723788) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
PubChem CID52723788
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
SMILESCc1ccnc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1
InChIInChI=1S/C21H21N3O2S/c1-15-10-11-22-19(13-15)24-21(26)16-5-2-6-17(14-16)23-20(25)9-3-7-18-8-4-12-27-18/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyFHWJUJQEIDTHTO-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-(3-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723792
N-(1H-pyrazol-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723262
(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-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55965735
N-(2-aminoethyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide;hydrochloride
CID 119384896
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 55961440
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide (CID 52723788) is N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is Cc1ccnc(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
The InChIKey is FHWJUJQEIDTHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-15-10-11-22-19(13-15)24-21(26)16-5-2-6-17(14-16)23-20(25)9-3-7-18-8-4-12-27-18/h2,4-6,8,10-14H,3,7,9H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide?
N-(4-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-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide is sourced from PubChem (CID 52723788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).