N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

C17H16N2O3S — CID 110660112

IUPACN-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc1C
InChIInChI=1S/C17H16N2O3S/c1-10-9-15(23-11(10)2)18-14(20)7-8-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyICLANPOTCRREAT-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.99
Rot. Bonds4

About N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide

N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 110660112) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID110660112
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc1C
InChIInChI=1S/C17H16N2O3S/c1-10-9-15(23-11(10)2)18-14(20)7-8-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-6,9H,7-8H2,1-2H3,(H,18,20)
InChIKeyICLANPOTCRREAT-UHFFFAOYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653
3-(1,3-dioxoisoindol-2-yl)-N-(4-methoxy-3-methylphenyl)propanamide
CID 110776420
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(4,5-dimethylthiophen-2-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110660152
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 19197239
3-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
CID 171980853
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 110660112) is N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)sc1C.
What is the InChIKey of N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is ICLANPOTCRREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-10-9-15(23-11(10)2)18-14(20)7-8-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-6,9H,7-8H2,1-2H3,(H,18,20).
What are the key properties of N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 328.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethylthiophen-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 110660112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).