5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C17H25ClN4O4S2 — CID 55376053

IUPAC5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H25ClN4O4S2/c1-19(28(25,26)17-5-4-14(18)27-17)12-15(23)22-10-8-20(9-11-22)13-16(24)21-6-2-3-7-21/h4-5H,2-3,6-13H2,1H3
InChIKeyCEEKUYUCVBFXMD-UHFFFAOYSA-N
MW449.00 g/mol
LogP0.79
Rot. Bonds6

About 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 55376053) has the molecular formula C17H25ClN4O4S2 and a molecular weight of 449.00 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID55376053
Molecular FormulaC17H25ClN4O4S2
Molecular Weight449.00 g/mol
Exact Mass448.10
IUPAC Name5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H25ClN4O4S2/c1-19(28(25,26)17-5-4-14(18)27-17)12-15(23)22-10-8-20(9-11-22)13-16(24)21-6-2-3-7-21/h4-5H,2-3,6-13H2,1H3
InChIKeyCEEKUYUCVBFXMD-UHFFFAOYSA-N
XLogP0.79
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 55496223
5-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide;hydrochloride
CID 119401193
5-chloro-N-methyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 9255284
5-(aminomethyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 106266241
N-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 55656883
5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)sulfamoyl]thiophene-2-carbothioamide
CID 106270582
2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112801006
(2-morpholin-4-yl-2-oxoethyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 7804748
N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-chloro-N-methylthiophene-2-sulfonamide
CID 25439511
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 34242792
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527430
(2-chlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18227111

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 55376053) is 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(CC(=O)N2CCCC2)CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is CEEKUYUCVBFXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O4S2/c1-19(28(25,26)17-5-4-14(18)27-17)12-15(23)22-10-8-20(9-11-22)13-16(24)21-6-2-3-7-21/h4-5H,2-3,6-13H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 449.00 g/mol, XLogP of 0.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55376053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).