N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

C19H28N4O4S2 — CID 11858360

IUPACN-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
InChIKeyUWGJGMJVRLOOKQ-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.20
Rot. Bonds6

About N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide

N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 11858360) has the molecular formula C19H28N4O4S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID11858360
Molecular FormulaC19H28N4O4S2
Molecular Weight440.59 g/mol
Exact Mass440.16
IUPAC NameN-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
SMILESCCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25)
InChIKeyUWGJGMJVRLOOKQ-UHFFFAOYSA-N
XLogP2.20
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide (CID 11858360) is N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is CCC(=O)N1N=C(NC(=O)C(C)(C)C)SC1(CCNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is UWGJGMJVRLOOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4S2/c1-6-15(24)23-19(12-13-20-29(5,26)27,14-10-8-7-9-11-14)28-17(22-23)21-16(25)18(2,3)4/h7-11,20H,6,12-13H2,1-5H3,(H,21,22,25).
What are the key properties of N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide?
N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 440.59 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(methanesulfonamido)ethyl]-5-phenyl-4-propanoyl-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 11858360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).