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

C19H25N3O3S2 — CID 9467000

IUPACN-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-3-21(15-17-7-5-13-26-17)19(23)16-6-4-8-18(14-16)27(24,25)22-11-9-20(2)10-12-22/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyCHZLBRDLVTWGCE-UHFFFAOYSA-N
MW407.56 g/mol
LogP2.35
Rot. Bonds6

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

N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 9467000) has the molecular formula C19H25N3O3S2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID9467000
Molecular FormulaC19H25N3O3S2
Molecular Weight407.56 g/mol
Exact Mass407.13
IUPAC NameN-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H25N3O3S2/c1-3-21(15-17-7-5-13-26-17)19(23)16-6-4-8-18(14-16)27(24,25)22-11-9-20(2)10-12-22/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyCHZLBRDLVTWGCE-UHFFFAOYSA-N
XLogP2.35
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 9467000) is N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CHZLBRDLVTWGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S2/c1-3-21(15-17-7-5-13-26-17)19(23)16-6-4-8-18(14-16)27(24,25)22-11-9-20(2)10-12-22/h4-8,13-14H,3,9-12,15H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide?
N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 407.56 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 9467000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).