2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H25N5O4S2 — CID 4247188

IUPAC2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C18H25N5O4S2/c1-13-12-28-18(19-13)21-17(25)11-23(10-9-22(3)4)29(26,27)16-7-5-15(6-8-16)20-14(2)24/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H,19,21,25)
InChIKeyFKUHVLNTLMOVLS-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.60
Rot. Bonds9

About 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4247188) has the molecular formula C18H25N5O4S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4247188
Molecular FormulaC18H25N5O4S2
Molecular Weight439.56 g/mol
Exact Mass439.13
IUPAC Name2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C18H25N5O4S2/c1-13-12-28-18(19-13)21-17(25)11-23(10-9-22(3)4)29(26,27)16-7-5-15(6-8-16)20-14(2)24/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H,19,21,25)
InChIKeyFKUHVLNTLMOVLS-UHFFFAOYSA-N
XLogP1.60
TPSA111.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 7959047
2-[2-(dimethylamino)ethyl-(4-nitrophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3369626
2-[2-(diethylamino)ethyl-(4-methoxyphenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42770888
2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4625146
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4880323
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4158385
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(methyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 46650574
2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
2-[2-(diethylamino)ethyl-naphthalen-1-ylsulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4178192
2-[(4-acetamidophenyl)sulfonyl-pentylamino]-N-hydroxyacetamide
CID 142683353
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4550149
N-[2-(dimethylamino)ethyl]-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 42769939

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4247188) is 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FKUHVLNTLMOVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S2/c1-13-12-28-18(19-13)21-17(25)11-23(10-9-22(3)4)29(26,27)16-7-5-15(6-8-16)20-14(2)24/h5-8,12H,9-11H2,1-4H3,(H,20,24)(H,19,21,25).
What are the key properties of 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetamidophenyl)sulfonyl-[2-(dimethylamino)ethyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4247188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).