[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate

C20H25N3O7S2 — CID 16544268

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O7S2/c1-15-9-10-17(32(28,29)23(2)3)13-18(15)22-19(24)14-30-20(25)11-12-21-31(26,27)16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyYKYFANJCQOBOKL-UHFFFAOYSA-N
MW483.57 g/mol
LogP1.10
Rot. Bonds10

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate (PubChem CID 16544268) has the molecular formula C20H25N3O7S2 and a molecular weight of 483.57 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
PubChem CID16544268
Molecular FormulaC20H25N3O7S2
Molecular Weight483.57 g/mol
Exact Mass483.11
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25N3O7S2/c1-15-9-10-17(32(28,29)23(2)3)13-18(15)22-19(24)14-30-20(25)11-12-21-31(26,27)16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24)
InChIKeyYKYFANJCQOBOKL-UHFFFAOYSA-N
XLogP1.10
TPSA138.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 3882778
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CID 4025310
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CID 4574211
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CID 5166849
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CID 6107805
CID 6107805
CID 2077902
CID 2077902
CID 2338780
CID 2338780
CID 2347404
CID 2347404
CID 2387412
CID 2387412
CID 2549829
CID 2549829
CID 2602574
CID 2602574
CID 2604388
CID 2604388

Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate (CID 16544268) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
The InChIKey is YKYFANJCQOBOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O7S2/c1-15-9-10-17(32(28,29)23(2)3)13-18(15)22-19(24)14-30-20(25)11-12-21-31(26,27)16-7-5-4-6-8-16/h4-10,13,21H,11-12,14H2,1-3H3,(H,22,24).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate has a molecular weight of 483.57 g/mol, XLogP of 1.10, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-(benzenesulfonamido)propanoate is sourced from PubChem (CID 16544268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).