N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide

C21H23N3O3S2 — CID 32999319

IUPACN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1
InChIInChI=1S/C21H23N3O3S2/c1-2-23-10-12-24(13-11-23)29(26,27)18-8-5-7-17(15-18)22-21(25)20-14-16-6-3-4-9-19(16)28-20/h3-9,14-15H,2,10-13H2,1H3,(H,22,25)
InChIKeyHGAISRGVUOTOOX-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.48
Rot. Bonds5

About N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide (PubChem CID 32999319) has the molecular formula C21H23N3O3S2 and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
PubChem CID32999319
Molecular FormulaC21H23N3O3S2
Molecular Weight429.57 g/mol
Exact Mass429.12
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide
SMILESCCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1
InChIInChI=1S/C21H23N3O3S2/c1-2-23-10-12-24(13-11-23)29(26,27)18-8-5-7-17(15-18)22-21(25)20-14-16-6-3-4-9-19(16)28-20/h3-9,14-15H,2,10-13H2,1H3,(H,22,25)
InChIKeyHGAISRGVUOTOOX-UHFFFAOYSA-N
XLogP3.48
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43029814
2-amino-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]benzamide;dihydrochloride
CID 119946153
5-(3-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1,2-oxazole-3-carboxamide
CID 55638960
4-ethyl-5-methyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)thiophene-2-carboxamide
CID 9414960
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 55375848
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 27989966
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 35507327
N-(4-ethylsulfonylphenyl)-1-benzothiophene-2-carboxamide
CID 42022646
3-(4-ethylpiperazin-1-yl)sulfonyl-N-(4-methylphenyl)benzamide
CID 109064326
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 55910713
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55790313
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-3-thiophen-3-ylpropanamide
CID 37052401

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide (CID 32999319) is N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide is CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc4ccccc4s3)c2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide?
The InChIKey is HGAISRGVUOTOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S2/c1-2-23-10-12-24(13-11-23)29(26,27)18-8-5-7-17(15-18)22-21(25)20-14-16-6-3-4-9-19(16)28-20/h3-9,14-15H,2,10-13H2,1H3,(H,22,25).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide?
N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 32999319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).