4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

C17H19N3O2S — CID 50955536

IUPAC4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCc2sccc2C)cc1N1CCNC1=O
InChIInChI=1S/C17H19N3O2S/c1-11-3-4-13(9-14(11)20-7-6-18-17(20)22)16(21)19-10-15-12(2)5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZWBBXRTXEPPXKB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.82
Rot. Bonds4

About 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide

4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 50955536) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID50955536
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1ccc(C(=O)NCc2sccc2C)cc1N1CCNC1=O
InChIInChI=1S/C17H19N3O2S/c1-11-3-4-13(9-14(11)20-7-6-18-17(20)22)16(21)19-10-15-12(2)5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyZWBBXRTXEPPXKB-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70714708
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]benzamide
CID 131936152
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 70756654
4-[(3-methylthiophen-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 112700639
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72850232
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 172911052
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
3,4-dichloro-N-[2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111893833
3-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119351118
3,4-dichloro-N-[2-[[N'-methyl-N-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111893832
N-[(3-methylthiophen-2-yl)methyl]piperazine-1-carboxamide
CID 115171574
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096323

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 50955536) is 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1ccc(C(=O)NCc2sccc2C)cc1N1CCNC1=O.
What is the InChIKey of 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is ZWBBXRTXEPPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-3-4-13(9-14(11)20-7-6-18-17(20)22)16(21)19-10-15-12(2)5-8-23-15/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide?
4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 329.43 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 50955536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).