N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide

C17H21N3O3S2 — CID 2823611

IUPACN-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-19-9-11-20(12-10-19)25(22,23)16-8-7-15(24-16)13-18-17(21)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,18,21)
InChIKeyIZPCDKCYKRZFHD-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.61
Rot. Bonds5

About N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide

N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 2823611) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID2823611
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide
SMILESCN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1
InChIInChI=1S/C17H21N3O3S2/c1-19-9-11-20(12-10-19)25(22,23)16-8-7-15(24-16)13-18-17(21)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,18,21)
InChIKeyIZPCDKCYKRZFHD-UHFFFAOYSA-N
XLogP1.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
3-(dimethylsulfamoyl)-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4788844
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N-(3-methylbutyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6620252
2-Methylsulfanyl-N-{2-[4-(piperidine-1-sulfonyl)-phenyl]-ethyl}-benzamide
CID 1072632
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775
[4-(Phenylsulfonyl)piperazin-1-yl](4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2225531

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide (CID 2823611) is N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide is CN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)CC1.
What is the InChIKey of N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is IZPCDKCYKRZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-19-9-11-20(12-10-19)25(22,23)16-8-7-15(24-16)13-18-17(21)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3,(H,18,21).
What are the key properties of N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide?
N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 379.51 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 2823611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).