N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide

C18H26N4O3S2 — CID 55930197

IUPACN,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C18H26N4O3S2/c1-3-21(4-2)27(24,25)22-12-10-19(11-13-22)18(23)17-8-5-9-20(17)15-16-7-6-14-26-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyZOGSLIPNBKGFON-UHFFFAOYSA-N
MW410.57 g/mol
LogP1.94
Rot. Bonds7

About N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide

N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide (PubChem CID 55930197) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
PubChem CID55930197
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC NameN,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccn2Cc2cccs2)CC1
InChIInChI=1S/C18H26N4O3S2/c1-3-21(4-2)27(24,25)22-12-10-19(11-13-22)18(23)17-8-5-9-20(17)15-16-7-6-14-26-16/h5-9,14H,3-4,10-13,15H2,1-2H3
InChIKeyZOGSLIPNBKGFON-UHFFFAOYSA-N
XLogP1.94
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-methyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide
CID 55940011
[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 55928780
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 55929893
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
2-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]acetic acid
CID 119178450
4-phenyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidine-4-carboxylic acid
CID 119168407
(3S)-3-methyl-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610385
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848
(3R)-1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610662
[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone
CID 95589892
N,N-diethyl-4-(3-phenylfuran-2-carbonyl)piperazine-1-sulfonamide
CID 29285075
1-[1-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperidin-4-yl]piperidin-2-one
CID 99818850

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide?
The IUPAC name of N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide (CID 55930197) is N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cccn2Cc2cccs2)CC1.
What is the InChIKey of N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide?
The InChIKey is ZOGSLIPNBKGFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-3-21(4-2)27(24,25)22-12-10-19(11-13-22)18(23)17-8-5-9-20(17)15-16-7-6-14-26-16/h5-9,14H,3-4,10-13,15H2,1-2H3.
What are the key properties of N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide?
N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide has a molecular weight of 410.57 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[1-(thiophen-2-ylmethyl)pyrrole-2-carbonyl]piperazine-1-sulfonamide is sourced from PubChem (CID 55930197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).