N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

C19H23N5OS — CID 45228853

IUPACN-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)CN1CCCC1c1ccc(C(=O)Nc2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C19H23N5OS/c1-12(2)11-24-9-3-4-16(24)17-7-8-18(26-17)19(25)20-13-5-6-14-15(10-13)22-23-21-14/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyHCCTXTGSQZYRNN-UHFFFAOYSA-N
MW369.49 g/mol
LogP4.06
Rot. Bonds5

About N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide

N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45228853) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45228853
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESCC(C)CN1CCCC1c1ccc(C(=O)Nc2ccc3n[nH]nc3c2)s1
InChIInChI=1S/C19H23N5OS/c1-12(2)11-24-9-3-4-16(24)17-7-8-18(26-17)19(25)20-13-5-6-14-15(10-13)22-23-21-14/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyHCCTXTGSQZYRNN-UHFFFAOYSA-N
XLogP4.06
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45228853) is N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is CC(C)CN1CCCC1c1ccc(C(=O)Nc2ccc3n[nH]nc3c2)s1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is HCCTXTGSQZYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-12(2)11-24-9-3-4-16(24)17-7-8-18(26-17)19(25)20-13-5-6-14-15(10-13)22-23-21-14/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide?
N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-5-[1-(2-methylpropyl)pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45228853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).