N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide

C14H14N2O2S — CID 170860902

IUPACN-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)CN)c2)cs1
InChIInChI=1S/C14H14N2O2S/c1-9-5-11(8-19-9)14(18)16-12-4-2-3-10(6-12)13(17)7-15/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyIRUNXAMEADKHRQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.45
Rot. Bonds4

About N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide

N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide (PubChem CID 170860902) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide
PubChem CID170860902
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(=O)CN)c2)cs1
InChIInChI=1S/C14H14N2O2S/c1-9-5-11(8-19-9)14(18)16-12-4-2-3-10(6-12)13(17)7-15/h2-6,8H,7,15H2,1H3,(H,16,18)
InChIKeyIRUNXAMEADKHRQ-UHFFFAOYSA-N
XLogP2.45
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-aminoacetyl)phenyl]acetamide
CID 23372958
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
N-[3-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860874
N-(5-methylthiophen-3-yl)benzamide
CID 142100970
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
ethyl 3-[(5-iodothiophene-3-carbonyl)amino]benzoate
CID 78949117
5-ethyl-N-[3-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]thiophene-3-carboxamide
CID 170862060
ethyl 3-[(3,5-dimethylbenzoyl)amino]benzoate
CID 17066429
N-(3-carbamothioylphenyl)-3,5-dimethylbenzamide
CID 24707336
3-acetamido-N-[3-[(2-aminoacetyl)amino]-4-methylphenyl]benzamide
CID 39185194
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide (CID 170860902) is N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)Nc2cccc(C(=O)CN)c2)cs1.
What is the InChIKey of N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide?
The InChIKey is IRUNXAMEADKHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-5-11(8-19-9)14(18)16-12-4-2-3-10(6-12)13(17)7-15/h2-6,8H,7,15H2,1H3,(H,16,18).
What are the key properties of N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide?
N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoacetyl)phenyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 170860902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).