N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide

C20H22N2O3S — CID 51192488

IUPACN-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1sccc1C)C2=O
InChIInChI=1S/C20H22N2O3S/c1-13-6-7-15-16(11-13)20(25)22(19(15)24)9-4-5-18(23)21(3)12-17-14(2)8-10-26-17/h6-8,10-11H,4-5,9,12H2,1-3H3
InChIKeyDWJSVKITDSCVHW-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.40
Rot. Bonds6

About N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide

N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide (PubChem CID 51192488) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
PubChem CID51192488
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1sccc1C)C2=O
InChIInChI=1S/C20H22N2O3S/c1-13-6-7-15-16(11-13)20(25)22(19(15)24)9-4-5-18(23)21(3)12-17-14(2)8-10-26-17/h6-8,10-11H,4-5,9,12H2,1-3H3
InChIKeyDWJSVKITDSCVHW-UHFFFAOYSA-N
XLogP3.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[[methyl-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoyl]amino]methyl]benzamide
CID 26722353
4-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60939275
N-(2,3-dimethylphenyl)-N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55917587
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-sulfanylpropanamide
CID 115167982
N-methyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 60651297
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 41440469
N-methyl-N-(4-methylcyclohexyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 32919258
N-methyl-3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 86978707
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(4-ethylphenyl)methyl]-N-methylbutanamide
CID 46539413
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
4-hydroxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pentanamide
CID 79200842
N-methoxy-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 33101149

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The IUPAC name of N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide (CID 51192488) is N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)N(C)Cc1sccc1C)C2=O.
What is the InChIKey of N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
The InChIKey is DWJSVKITDSCVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13-6-7-15-16(11-13)20(25)22(19(15)24)9-4-5-18(23)21(3)12-17-14(2)8-10-26-17/h6-8,10-11H,4-5,9,12H2,1-3H3.
What are the key properties of N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide?
N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide has a molecular weight of 370.47 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(3-methylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 51192488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).