N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C19H25N5O2S — CID 45220874

IUPACN-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCc1nc(CCC(=O)N2CCCC2c2ccc(C(=O)NC3CCC3)s2)n[nH]1
InChIInChI=1S/C19H25N5O2S/c1-12-20-17(23-22-12)9-10-18(25)24-11-3-6-14(24)15-7-8-16(27-15)19(26)21-13-4-2-5-13/h7-8,13-14H,2-6,9-11H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyNEDUQJBHUKQHGX-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.75
Rot. Bonds6

About N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide

N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45220874) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45220874
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC NameN-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCc1nc(CCC(=O)N2CCCC2c2ccc(C(=O)NC3CCC3)s2)n[nH]1
InChIInChI=1S/C19H25N5O2S/c1-12-20-17(23-22-12)9-10-18(25)24-11-3-6-14(24)15-7-8-16(27-15)19(26)21-13-4-2-5-13/h7-8,13-14H,2-6,9-11H2,1H3,(H,21,26)(H,20,22,23)
InChIKeyNEDUQJBHUKQHGX-UHFFFAOYSA-N
XLogP2.75
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 95928288
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
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5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-ethylthiophene-2-carboxamide
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N,N-dimethyl-5-[1-(3-pyridin-2-ylpropanoyl)pyrrolidin-2-yl]thiophene-2-carboxamide
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CID 56907734
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CID 45220914
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CID 92640451
N-(1H-pyrazol-5-yl)-5-[1-(2-pyridin-2-ylacetyl)pyrrolidin-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45220874) is N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is Cc1nc(CCC(=O)N2CCCC2c2ccc(C(=O)NC3CCC3)s2)n[nH]1.
What is the InChIKey of N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is NEDUQJBHUKQHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-12-20-17(23-22-12)9-10-18(25)24-11-3-6-14(24)15-7-8-16(27-15)19(26)21-13-4-2-5-13/h7-8,13-14H,2-6,9-11H2,1H3,(H,21,26)(H,20,22,23).
What are the key properties of N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[1-[3-(5-methyl-1H-1,2,4-triazol-3-yl)propanoyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45220874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).