N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide

C18H18N6O3S — CID 71791172

IUPACN-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(-n3nnn(CC(=O)NC4CC4)c3=O)cc2)c1
InChIInChI=1S/C18H18N6O3S/c1-11-8-15(28-10-11)17(26)20-13-4-6-14(7-5-13)24-18(27)23(21-22-24)9-16(25)19-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,25)(H,20,26)
InChIKeyOKNPXLAHSFLDNH-UHFFFAOYSA-N
MW398.45 g/mol
LogP1.33
Rot. Bonds6

About N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide

N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide (PubChem CID 71791172) has the molecular formula C18H18N6O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide
PubChem CID71791172
Molecular FormulaC18H18N6O3S
Molecular Weight398.45 g/mol
Exact Mass398.12
IUPAC NameN-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccc(-n3nnn(CC(=O)NC4CC4)c3=O)cc2)c1
InChIInChI=1S/C18H18N6O3S/c1-11-8-15(28-10-11)17(26)20-13-4-6-14(7-5-13)24-18(27)23(21-22-24)9-16(25)19-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,25)(H,20,26)
InChIKeyOKNPXLAHSFLDNH-UHFFFAOYSA-N
XLogP1.33
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide with MolForge

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]prop-2-enamide
CID 71960653
N-cyclopropyl-2-[4-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-5-oxotetrazol-1-yl]acetamide
CID 71791178
N-[4-(4-methoxypiperidin-1-yl)phenyl]-4-methylthiophene-2-carboxamide
CID 71809641
N-[4-[4-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]thiophene-2-carboxamide
CID 71791209
4-methyl-N-[4-[5-(pyrrolidine-1-carbonyl)tetrazol-2-yl]phenyl]thiophene-2-carboxamide
CID 71792316
N-[4-(dimethylamino)phenyl]-4-methylthiophene-2-carboxamide
CID 110861965
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
N-[4-[4-(2-amino-2-oxoethyl)-5-oxotetrazol-1-yl]phenyl]-4-propan-2-yloxybenzamide
CID 71791091
N-cyclopropyl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]propanamide
CID 79394044
3-[2-(cyclopropylamino)-2-oxoethyl]-N-(4-methylphenyl)-2-oxo-1,3-benzoxazole-5-carboxamide
CID 50842111
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-methylthiophene-2-carboxamide
CID 46107110
2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 41401781

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide (CID 71791172) is N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccc(-n3nnn(CC(=O)NC4CC4)c3=O)cc2)c1.
What is the InChIKey of N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide?
The InChIKey is OKNPXLAHSFLDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S/c1-11-8-15(28-10-11)17(26)20-13-4-6-14(7-5-13)24-18(27)23(21-22-24)9-16(25)19-12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,25)(H,20,26).
What are the key properties of N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide?
N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide has a molecular weight of 398.45 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(cyclopropylamino)-2-oxoethyl]-5-oxotetrazol-1-yl]phenyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71791172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).