4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide

C16H18N2O2S — CID 18107073

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ncccc2C)c(C)s1
InChIInChI=1S/C16H18N2O2S/c1-10-5-4-8-17-16(10)18-15(20)7-6-14(19)13-9-11(2)21-12(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyCUHBKAZNYQGAMZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.67
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide (PubChem CID 18107073) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
PubChem CID18107073
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
SMILESCc1cc(C(=O)CCC(=O)Nc2ncccc2C)c(C)s1
InChIInChI=1S/C16H18N2O2S/c1-10-5-4-8-17-16(10)18-15(20)7-6-14(19)13-9-11(2)21-12(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,20)
InChIKeyCUHBKAZNYQGAMZ-UHFFFAOYSA-N
XLogP3.67
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-pyridinyl)-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 35032439
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-pyridin-4-ylbutanamide
CID 27700487
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)butanamide
CID 41164474
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(4-phenylphenyl)butanamide
CID 7969004
4-(2,5-dimethylthiophen-3-yl)-N-(4-fluorophenyl)-4-oxobutanamide
CID 9416232
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-(2-quinolin-8-ylethyl)butanamide
CID 18149370
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
4-(2,5-dimethylthiophen-3-yl)-N-[4-(methylcarbamoylamino)phenyl]-4-oxobutanamide
CID 46518580
N-[4-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]phenyl]-3-methylbutanamide
CID 33031537
4-(2-methylphenyl)-4-oxo-N-pyrimidin-2-ylbutanamide
CID 110676274

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide (CID 18107073) is 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide is Cc1cc(C(=O)CCC(=O)Nc2ncccc2C)c(C)s1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide?
The InChIKey is CUHBKAZNYQGAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-5-4-8-17-16(10)18-15(20)7-6-14(19)13-9-11(2)21-12(13)3/h4-5,8-9H,6-7H2,1-3H3,(H,17,18,20).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide has a molecular weight of 302.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide is sourced from PubChem (CID 18107073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).