N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

C14H18N2O2S — CID 46395954

IUPACN-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccc2sc(C)cc2c1=O
InChIInChI=1S/C14H18N2O2S/c1-4-9(2)15-13(17)8-16-6-5-12-11(14(16)18)7-10(3)19-12/h5-7,9H,4,8H2,1-3H3,(H,15,17)
InChIKeyAAUGZSNCSBNRED-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.29
Rot. Bonds4

About N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide

N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (PubChem CID 46395954) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
PubChem CID46395954
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide
SMILESCCC(C)NC(=O)Cn1ccc2sc(C)cc2c1=O
InChIInChI=1S/C14H18N2O2S/c1-4-9(2)15-13(17)8-16-6-5-12-11(14(16)18)7-10(3)19-12/h5-7,9H,4,8H2,1-3H3,(H,15,17)
InChIKeyAAUGZSNCSBNRED-UHFFFAOYSA-N
XLogP2.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]-2-(thiophen-2-ylformamido)butanamide
CID 25093406
(2S)-2-[(5-formylthiophen-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093408
N-[1-(Pyrrolidine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 2179888
N-(1-Methyl-2-(1-piperidinyl)ethyl)-2-thiophenecarboxamide
CID 2971109
N-[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 4651361
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 16389189
5-methyl-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106469
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 18107541

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide (CID 46395954) is N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is CCC(C)NC(=O)Cn1ccc2sc(C)cc2c1=O.
What is the InChIKey of N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
The InChIKey is AAUGZSNCSBNRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-9(2)15-13(17)8-16-6-5-12-11(14(16)18)7-10(3)19-12/h5-7,9H,4,8H2,1-3H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide?
N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide has a molecular weight of 278.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2-methyl-4-oxothieno[3,2-c]pyridin-5-yl)acetamide is sourced from PubChem (CID 46395954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).