N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide

C20H17N3OS — CID 53164145

IUPACN-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1cccs1
InChIInChI=1S/C20H17N3OS/c24-20(19-11-6-12-25-19)21-13-17-16-9-4-5-10-18(16)23(22-17)14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24)
InChIKeyWVNNLCQNIDLTNM-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.08
Rot. Bonds5

About N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide

N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 53164145) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID53164145
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1cccs1
InChIInChI=1S/C20H17N3OS/c24-20(19-11-6-12-25-19)21-13-17-16-9-4-5-10-18(16)23(22-17)14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24)
InChIKeyWVNNLCQNIDLTNM-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylthiophene-2-carboxamide
CID 574227
N-[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 8943704
N-[1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]indazol-3-yl]thiophene-2-carboxamide
CID 126475209
N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 25105722
N-[2-(benzylamino)ethyl]thiophene-2-carboxamide
CID 47148638
3-(1-benzylindazol-3-yl)propanal
CID 167222160
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 53022323
N-benzyl-2-(thiophene-2-carbonyl)benzamide
CID 11960719
N-benzyl-2-oxo-2-thiophen-2-ylacetamide
CID 13301283
N-[(2-hydroxyphenyl)methyl]thiophene-2-carboxamide
CID 25105717
N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide (CID 53164145) is N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide is O=C(NCc1nn(Cc2ccccc2)c2ccccc12)c1cccs1.
What is the InChIKey of N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is WVNNLCQNIDLTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c24-20(19-11-6-12-25-19)21-13-17-16-9-4-5-10-18(16)23(22-17)14-15-7-2-1-3-8-15/h1-12H,13-14H2,(H,21,24).
What are the key properties of N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide?
N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 53164145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).