2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide

C22H22N8O3S — CID 170177984

IUPAC2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(-c3ccc(C(=O)Nc4nn[nH]n4)c(OC)c3)n2)c1
InChIInChI=1S/C22H22N8O3S/c1-3-4-5-20(31)24-14-9-19(34-12-14)17-11-23-10-16(25-17)13-6-7-15(18(8-13)33-2)21(32)26-22-27-29-30-28-22/h6-12H,3-5H2,1-2H3,(H,24,31)(H2,26,27,28,29,30,32)
InChIKeyNFUZHLPKPFTVFG-UHFFFAOYSA-N
MW478.54 g/mol
LogP3.77
Rot. Bonds9

About 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide

2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 170177984) has the molecular formula C22H22N8O3S and a molecular weight of 478.54 g/mol. Its IUPAC name is 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID170177984
Molecular FormulaC22H22N8O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC Name2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCCCC(=O)Nc1csc(-c2cncc(-c3ccc(C(=O)Nc4nn[nH]n4)c(OC)c3)n2)c1
InChIInChI=1S/C22H22N8O3S/c1-3-4-5-20(31)24-14-9-19(34-12-14)17-11-23-10-16(25-17)13-6-7-15(18(8-13)33-2)21(32)26-22-27-29-30-28-22/h6-12H,3-5H2,1-2H3,(H,24,31)(H2,26,27,28,29,30,32)
InChIKeyNFUZHLPKPFTVFG-UHFFFAOYSA-N
XLogP3.77
TPSA147.67 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 170178382
4-[6-[4-[(2-cyclobutylacetyl)amino]thiophen-2-yl]pyrazin-2-yl]-N-[2-(dimethylamino)ethyl]-2-methoxy-N-methylbenzamide
CID 170178074
2-cyclopentyl-N-[5-[6-[3-methoxy-4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178531
N-[5-[6-(4-chloro-3-methoxyphenyl)pyrazin-2-yl]thiophen-3-yl]cyclobutanecarboxamide
CID 170178381
N-[5-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]thiophen-3-yl]pentanamide
CID 168878475
2-cyclopropyl-N-[5-[6-[4-[2-(dimethylamino)ethyl-methylsulfamoyl]-3-methoxyphenyl]pyrazin-2-yl]thiophen-3-yl]acetamide
CID 170178181
2-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyrazine
CID 168878472
5-[6-(3,4-dimethoxyphenyl)pyrazin-2-yl]thiophen-3-amine;hydrochloride
CID 168878438
4-methoxy-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 97183865
N-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]pentanamide
CID 112984141
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 48998332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide (CID 170177984) is 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide is CCCCC(=O)Nc1csc(-c2cncc(-c3ccc(C(=O)Nc4nn[nH]n4)c(OC)c3)n2)c1.
What is the InChIKey of 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is NFUZHLPKPFTVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3S/c1-3-4-5-20(31)24-14-9-19(34-12-14)17-11-23-10-16(25-17)13-6-7-15(18(8-13)33-2)21(32)26-22-27-29-30-28-22/h6-12H,3-5H2,1-2H3,(H,24,31)(H2,26,27,28,29,30,32).
What are the key properties of 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide?
2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 478.54 g/mol, XLogP of 3.77, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-[4-(pentanoylamino)thiophen-2-yl]pyrazin-2-yl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 170177984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).