5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

C17H25ClN4O5S2 — CID 55496223

IUPAC5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H25ClN4O5S2/c1-19(29(25,26)17-3-2-14(18)28-17)12-15(23)21-4-6-22(7-5-21)16(24)13-20-8-10-27-11-9-20/h2-3H,4-13H2,1H3
InChIKeyQKRFMMGPGMGLDD-UHFFFAOYSA-N
MW465.00 g/mol
LogP0.03
Rot. Bonds6

About 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide

5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (PubChem CID 55496223) has the molecular formula C17H25ClN4O5S2 and a molecular weight of 465.00 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
PubChem CID55496223
Molecular FormulaC17H25ClN4O5S2
Molecular Weight465.00 g/mol
Exact Mass464.10
IUPAC Name5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
SMILESCN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C17H25ClN4O5S2/c1-19(29(25,26)17-3-2-14(18)28-17)12-15(23)21-4-6-22(7-5-21)16(24)13-20-8-10-27-11-9-20/h2-3H,4-13H2,1H3
InChIKeyQKRFMMGPGMGLDD-UHFFFAOYSA-N
XLogP0.03
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide (CID 55496223) is 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is CN(CC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
The InChIKey is QKRFMMGPGMGLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O5S2/c1-19(29(25,26)17-3-2-14(18)28-17)12-15(23)21-4-6-22(7-5-21)16(24)13-20-8-10-27-11-9-20/h2-3H,4-13H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide?
5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide has a molecular weight of 465.00 g/mol, XLogP of 0.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55496223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).