N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide

C15H17N3O2S — CID 43461291

IUPACN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C15H17N3O2S/c1-10-6-7-21-14(10)15(20)18(9-13(17)19)8-11-4-2-3-5-12(11)16/h2-7H,8-9,16H2,1H3,(H2,17,19)
InChIKeyIDOSFYIPAIDKRL-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.77
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide

N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide (PubChem CID 43461291) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
PubChem CID43461291
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)N(CC(N)=O)Cc1ccccc1N
InChIInChI=1S/C15H17N3O2S/c1-10-6-7-21-14(10)15(20)18(9-13(17)19)8-11-4-2-3-5-12(11)16/h2-7H,8-9,16H2,1H3,(H2,17,19)
InChIKeyIDOSFYIPAIDKRL-UHFFFAOYSA-N
XLogP1.77
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-2-methylpyrazole-3-carboxamide
CID 62921137
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103116038
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919
3-amino-N-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094457
N-[(2-aminophenyl)methyl]-N-ethyl-4-methylthiophene-3-carboxamide
CID 79803210
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N-ethyl-3-methylthiophene-2-carboxamide
CID 54987860
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78789091
N-[(2-aminophenyl)methyl]-3-methoxy-N-propan-2-ylthiophene-2-carboxamide
CID 81116677
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]oxolane-3-carboxamide
CID 61272179

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide (CID 43461291) is N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)N(CC(N)=O)Cc1ccccc1N.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is IDOSFYIPAIDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-10-6-7-21-14(10)15(20)18(9-13(17)19)8-11-4-2-3-5-12(11)16/h2-7H,8-9,16H2,1H3,(H2,17,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 43461291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).