N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

C20H21N3O2S — CID 131635966

IUPACN-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc3sccc3c2)ccc1C1CNNC1
InChIInChI=1S/C20H21N3O2S/c1-25-18-9-15(3-4-17(18)16-11-22-23-12-16)20(24)21-10-13-2-5-19-14(8-13)6-7-26-19/h2-9,16,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyRICXBDSDHTUBMU-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.03
Rot. Bonds5

About N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide

N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (PubChem CID 131635966) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
PubChem CID131635966
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide
SMILESCOc1cc(C(=O)NCc2ccc3sccc3c2)ccc1C1CNNC1
InChIInChI=1S/C20H21N3O2S/c1-25-18-9-15(3-4-17(18)16-11-22-23-12-16)20(24)21-10-13-2-5-19-14(8-13)6-7-26-19/h2-9,16,22-23H,10-12H2,1H3,(H,21,24)
InChIKeyRICXBDSDHTUBMU-UHFFFAOYSA-N
XLogP3.03
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-(benzo[b]thiophen-3-yl)-3-methoxyphenyl)((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 46890707
3-(4-(2-(2-(2-methoxyphenyl)acetamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53316600
(S)-N-(1-(3-methoxybenzyl)pyrrolidin-3-yl)-4-(thiophen-2-yl)benzamide
CID 44405466
3-(4-(2-(1-(2-methoxyphenyl)cyclopropanecarboxamido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide
CID 53316601
N-(3,3-Dimethylamino)propyl-8-methoxynaphtho(2,1-b)thiophene-4-carboxamide
CID 128531
N-[(2-Methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187906
N-[(3-Methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187907
N-[(2,5-Dimethoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 53187933
N5-[(3-Methoxyphenyl)methyl]-N2,N2-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-2,5-dicarboxamide
CID 53187980
N-(3-(2'-methoxy-[1,1'-biphenyl]-4-carboxamido)propyl) benzo[b]thiophene-2-carboxamide
CID 171127195
6-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1-benzothiophene-5-carboxamide
CID 44214679
5-fluoro-N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 24516105

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide (CID 131635966) is N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is COc1cc(C(=O)NCc2ccc3sccc3c2)ccc1C1CNNC1.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
The InChIKey is RICXBDSDHTUBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-18-9-15(3-4-17(18)16-11-22-23-12-16)20(24)21-10-13-2-5-19-14(8-13)6-7-26-19/h2-9,16,22-23H,10-12H2,1H3,(H,21,24).
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide?
N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide has a molecular weight of 367.47 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-3-methoxy-4-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 131635966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).