N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide

C11H18ClN3O3S2 — CID 61042427

IUPACN-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H18ClN3O3S2/c1-7-9(19-10(12)13-7)20(17,18)15(5)6-8(16)14-11(2,3)4/h6H2,1-5H3,(H,14,16)
InChIKeyRBDKUQANYWVLHB-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.64
Rot. Bonds4

About N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide

N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide (PubChem CID 61042427) has the molecular formula C11H18ClN3O3S2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
PubChem CID61042427
Molecular FormulaC11H18ClN3O3S2
Molecular Weight339.87 g/mol
Exact Mass339.05
IUPAC NameN-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide
SMILESCc1nc(Cl)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C11H18ClN3O3S2/c1-7-9(19-10(12)13-7)20(17,18)15(5)6-8(16)14-11(2,3)4/h6H2,1-5H3,(H,14,16)
InChIKeyRBDKUQANYWVLHB-UHFFFAOYSA-N
XLogP1.64
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide (CID 61042427) is N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide is Cc1nc(Cl)sc1S(=O)(=O)N(C)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide?
The InChIKey is RBDKUQANYWVLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3S2/c1-7-9(19-10(12)13-7)20(17,18)15(5)6-8(16)14-11(2,3)4/h6H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide?
N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide has a molecular weight of 339.87 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-chloro-4-methyl-1,3-thiazol-5-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 61042427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).