N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

C18H23N3O3S2 — CID 25163198

IUPACN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-19-8-10-21(11-9-19)26(23,24)17-7-3-5-15(13-17)18(22)20(2)14-16-6-4-12-25-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyFKIITDOGNHYSOU-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide

N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 25163198) has the molecular formula C18H23N3O3S2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID25163198
Molecular FormulaC18H23N3O3S2
Molecular Weight393.53 g/mol
Exact Mass393.12
IUPAC NameN-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)CC1
InChIInChI=1S/C18H23N3O3S2/c1-19-8-10-21(11-9-19)26(23,24)17-7-3-5-15(13-17)18(22)20(2)14-16-6-4-12-25-16/h3-7,12-13H,8-11,14H2,1-2H3
InChIKeyFKIITDOGNHYSOU-UHFFFAOYSA-N
XLogP1.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,4-Dimethylphenyl)sulfonyl]-4-(thien-2-ylcarbonyl)piperazine
CID 1262770
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
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
1-[(5,5-dioxido-4H-thieno[3,2-c]thiochromen-2-yl)carbonyl]pyrrolidine
CID 6623577
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(2S)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]methanone
CID 16305983
(4-Ethylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 770531
4-[(4-Fluorophenyl)sulfonyl]piperazinyl 2-thienyl ketone
CID 1094979
[4-(2,4-Dimethylbenzenesulfonyl)piperazin-1-yl](thiophen-2-yl)methanone
CID 1262775

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 25163198) is N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)N(C)Cc3cccs3)c2)CC1.
What is the InChIKey of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is FKIITDOGNHYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S2/c1-19-8-10-21(11-9-19)26(23,24)17-7-3-5-15(13-17)18(22)20(2)14-16-6-4-12-25-16/h3-7,12-13H,8-11,14H2,1-2H3.
What are the key properties of N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 393.53 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 25163198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).