N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide

C12H21ClN4O3S — CID 35301206

IUPACN-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H21ClN4O3S/c1-6-17(7-9(18)15-12(2,3)4)21(19,20)11-10(13)16(5)8-14-11/h8H,6-7H2,1-5H3,(H,15,18)
InChIKeyKPBYUBHRQOENSK-UHFFFAOYSA-N
MW336.85 g/mol
LogP1.00
Rot. Bonds5

About N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide

N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide (PubChem CID 35301206) has the molecular formula C12H21ClN4O3S and a molecular weight of 336.85 g/mol. Its IUPAC name is N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide
PubChem CID35301206
Molecular FormulaC12H21ClN4O3S
Molecular Weight336.85 g/mol
Exact Mass336.10
IUPAC NameN-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C12H21ClN4O3S/c1-6-17(7-9(18)15-12(2,3)4)21(19,20)11-10(13)16(5)8-14-11/h8H,6-7H2,1-5H3,(H,15,18)
InChIKeyKPBYUBHRQOENSK-UHFFFAOYSA-N
XLogP1.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 51.00
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-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide (CID 35301206) is N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)NC(C)(C)C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide?
The InChIKey is KPBYUBHRQOENSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O3S/c1-6-17(7-9(18)15-12(2,3)4)21(19,20)11-10(13)16(5)8-14-11/h8H,6-7H2,1-5H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide?
N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide has a molecular weight of 336.85 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 35301206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).