N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide

C20H22N6O3S — CID 143003380

IUPACN-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN)c(NC(=O)Nc3cnccn3)s2)cc1C
InChIInChI=1S/C20H22N6O3S/c1-12-9-13(3-4-15(12)29-2)16-10-14(18(27)24-6-5-21)19(30-16)26-20(28)25-17-11-22-7-8-23-17/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyYAIWWBHBHHAUBD-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.85
Rot. Bonds7

About N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide

N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide (PubChem CID 143003380) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide
PubChem CID143003380
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC NameN-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN)c(NC(=O)Nc3cnccn3)s2)cc1C
InChIInChI=1S/C20H22N6O3S/c1-12-9-13(3-4-15(12)29-2)16-10-14(18(27)24-6-5-21)19(30-16)26-20(28)25-17-11-22-7-8-23-17/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,27)(H2,23,25,26,28)
InChIKeyYAIWWBHBHHAUBD-UHFFFAOYSA-N
XLogP2.85
TPSA131.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-aminoethyl)-2-(carbamoylamino)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624156
5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-4-yl-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide
CID 11577422
2-(pyrazin-2-ylcarbamoylamino)-5-(1H-pyrrol-3-yl)thiophene-3-carboxylic acid
CID 69484253
N-[3-(2-aminoethylcarbamoyl)-5-methylthiophen-2-yl]pyridine-3-carboxamide
CID 39162703
1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
N-[(3S)-piperidin-3-yl]-2-(pyrazin-2-ylcarbamoylamino)-5-pyrimidin-5-ylthiophene-3-carboxamide
CID 67077781
N-(2-aminoethyl)-5-methyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxamide
CID 39162691
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
1-[(3,4-dimethoxyphenyl)methyl]-3-pyrazin-2-ylurea
CID 110492414
2-(carbamoylamino)-N-(2-methoxyethyl)-5-(4-methoxyphenyl)thiophene-3-carboxamide
CID 11624450
2-(carbamoylamino)-5-(4-methoxyphenyl)-N-(2-phenoxyethyl)thiophene-3-carboxamide
CID 11560615
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide (CID 143003380) is N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCN)c(NC(=O)Nc3cnccn3)s2)cc1C.
What is the InChIKey of N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide?
The InChIKey is YAIWWBHBHHAUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-12-9-13(3-4-15(12)29-2)16-10-14(18(27)24-6-5-21)19(30-16)26-20(28)25-17-11-22-7-8-23-17/h3-4,7-11H,5-6,21H2,1-2H3,(H,24,27)(H2,23,25,26,28).
What are the key properties of N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide?
N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.85, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(4-methoxy-3-methylphenyl)-2-(pyrazin-2-ylcarbamoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 143003380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).