4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide

C18H18N6O2S — CID 71792316

IUPAC4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(-n3nnc(C(=O)N4CCCC4)n3)cc2)c1
InChIInChI=1S/C18H18N6O2S/c1-12-10-15(27-11-12)17(25)19-13-4-6-14(7-5-13)24-21-16(20-22-24)18(26)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,25)
InChIKeyAASXCRDFFWZMSW-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.52
Rot. Bonds4

About 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide

4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide (PubChem CID 71792316) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
PubChem CID71792316
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(-n3nnc(C(=O)N4CCCC4)n3)cc2)c1
InChIInChI=1S/C18H18N6O2S/c1-12-10-15(27-11-12)17(25)19-13-4-6-14(7-5-13)24-21-16(20-22-24)18(26)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,25)
InChIKeyAASXCRDFFWZMSW-UHFFFAOYSA-N
XLogP2.52
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-chlorophenyl)tetrazol-5-yl]-piperidin-1-ylmethanone
CID 71791488
N-(4-methylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791280
N-(4-acetamidophenyl)-4-methylthiophene-2-carboxamide
CID 110861467
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
pyrrolidin-1-yl-[2-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]methanone
CID 71791619
N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide
CID 71791172
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 122334961
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
N-(4-methylsulfonylphenyl)-2-phenyltetrazole-5-carboxamide
CID 71791318
N-(4-methoxyphenyl)-5-(4-methylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131697416

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide (CID 71792316) is 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(-n3nnc(C(=O)N4CCCC4)n3)cc2)c1.
What is the InChIKey of 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is AASXCRDFFWZMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-12-10-15(27-11-12)17(25)19-13-4-6-14(7-5-13)24-21-16(20-22-24)18(26)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9H2,1H3,(H,19,25).
What are the key properties of 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide?
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 71792316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).