N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide

C16H19N3O2S — CID 39162691

IUPACN-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)c2ccccc2C)s1
InChIInChI=1S/C16H19N3O2S/c1-10-5-3-4-6-12(10)15(21)19-16-13(9-11(2)22-16)14(20)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRHJUHIDQHIZBOR-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.31
Rot. Bonds5

About N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide

N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 39162691) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID39162691
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1cc(C(=O)NCCN)c(NC(=O)c2ccccc2C)s1
InChIInChI=1S/C16H19N3O2S/c1-10-5-3-4-6-12(10)15(21)19-16-13(9-11(2)22-16)14(20)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyRHJUHIDQHIZBOR-UHFFFAOYSA-N
XLogP2.31
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-5-methyl-2-[(4-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162699
N-(2-aminoethyl)-5-methyl-2-(propanoylamino)thiophene-3-carboxamide
CID 39162635
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
ethyl 2-[(2-fluorobenzoyl)amino]-5-methylthiophene-3-carboxylate
CID 759964
N-(2-aminoethyl)-2-bromo-5-methylthiophene-3-carboxamide
CID 119384710
N-(2-aminoethyl)-2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzamide;hydrochloride
CID 120604396
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[3-(2-aminoethylcarbamoyl)-5-ethylthiophen-2-yl]furan-2-carboxamide
CID 39162763
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4945880

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide (CID 39162691) is N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide is Cc1cc(C(=O)NCCN)c(NC(=O)c2ccccc2C)s1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is RHJUHIDQHIZBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-5-3-4-6-12(10)15(21)19-16-13(9-11(2)22-16)14(20)18-8-7-17/h3-6,9H,7-8,17H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide?
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 39162691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).