N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C17H24N6O2S — CID 45206901

IUPACN-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCn2nnnc2C)s1
InChIInChI=1S/C17H24N6O2S/c1-4-21(3)17(25)15-8-7-14(26-15)13-6-5-10-22(13)16(24)9-11-23-12(2)18-19-20-23/h7-8,13H,4-6,9-11H2,1-3H3
InChIKeyVHGFIKKXNKOIQQ-UHFFFAOYSA-N
MW376.49 g/mol
LogP1.89
Rot. Bonds6

About N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45206901) has the molecular formula C17H24N6O2S and a molecular weight of 376.49 g/mol. Its IUPAC name is N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45206901
Molecular FormulaC17H24N6O2S
Molecular Weight376.49 g/mol
Exact Mass376.17
IUPAC NameN-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCn2nnnc2C)s1
InChIInChI=1S/C17H24N6O2S/c1-4-21(3)17(25)15-8-7-14(26-15)13-6-5-10-22(13)16(24)9-11-23-12(2)18-19-20-23/h7-8,13H,4-6,9-11H2,1-3H3
InChIKeyVHGFIKKXNKOIQQ-UHFFFAOYSA-N
XLogP1.89
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
1-[2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 91794110
N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45197404
5-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]pyrrolidin-2-yl]-N-propylthiophene-2-carboxamide
CID 45220914
5-[(2S)-1-(2-methoxyacetyl)pyrrolidin-2-yl]-N-methyl-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 30921699
3-cyclohexyl-1-[2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]propan-1-one
CID 86952952
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
CID 45183238
1-[(3S)-3-ethylmorpholin-4-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70756628
N,N-dimethyl-5-[1-[3-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45210061
5-[1-(3-chlorobenzoyl)pyrrolidin-2-yl]-N,N-diethylthiophene-2-carboxamide
CID 45215784

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45206901) is N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is CCN(C)C(=O)c1ccc(C2CCCN2C(=O)CCn2nnnc2C)s1.
What is the InChIKey of N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is VHGFIKKXNKOIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2S/c1-4-21(3)17(25)15-8-7-14(26-15)13-6-5-10-22(13)16(24)9-11-23-12(2)18-19-20-23/h7-8,13H,4-6,9-11H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-5-[1-[3-(5-methyltetrazol-1-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45206901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).