4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide

C18H23N3O3S2 — CID 6504027

IUPAC4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O3S2/c1-2-19-18(22)17-12-16(14-25-17)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyTTWOFYXUNBTNAF-UHFFFAOYSA-N
MW393.53 g/mol
LogP2.00
Rot. Bonds6

About 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide

4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide (PubChem CID 6504027) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide
PubChem CID6504027
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC Name4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cs1
InChIInChI=1S/C18H23N3O3S2/c1-2-19-18(22)17-12-16(14-25-17)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22)
InChIKeyTTWOFYXUNBTNAF-UHFFFAOYSA-N
XLogP2.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
2-[[4-(4-phenylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]acetic acid
CID 171355035
methyl 3-(4-benzylpiperazin-1-yl)sulfonylbenzoate
CID 31699946
N-[4-(4-benzylpiperazin-1-yl)sulfonyl-2-chlorophenyl]acetamide
CID 78842967
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
4-(4-benzylpiperazin-1-yl)sulfonyl-N-methylpyridin-2-amine
CID 113228639
3-(4-benzylpiperazin-1-yl)sulfonyl-N-(4-ethoxyphenyl)benzamide
CID 26915695
4-(4-benzylpiperazin-1-yl)sulfonyl-N-prop-2-enylbenzamide
CID 109058451
N-ethyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43918377
1-benzyl-4-(4-chloro-3-methylphenyl)sulfonylpiperazine
CID 1239307
1-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 1167101
1-benzyl-4-(4-propylphenyl)sulfonyl-1,4-diazepane
CID 3870068

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide (CID 6504027) is 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide is CCNC(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cs1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
The InChIKey is TTWOFYXUNBTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-2-19-18(22)17-12-16(14-25-17)26(23,24)21-10-8-20(9-11-21)13-15-6-4-3-5-7-15/h3-7,12,14H,2,8-11,13H2,1H3,(H,19,22).
What are the key properties of 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide?
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 6504027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).