2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide

C10H17ClN4O3S — CID 35305343

IUPAC2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-4-5-12-8(16)6-15(3)19(17,18)10-9(11)14(2)7-13-10/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyBWLVIBHOZAVIMO-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.22
Rot. Bonds6

About 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide

2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 35305343) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID35305343
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-4-5-12-8(16)6-15(3)19(17,18)10-9(11)14(2)7-13-10/h7H,4-6H2,1-3H3,(H,12,16)
InChIKeyBWLVIBHOZAVIMO-UHFFFAOYSA-N
XLogP0.22
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide (CID 35305343) is 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1ncn(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is BWLVIBHOZAVIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-4-5-12-8(16)6-15(3)19(17,18)10-9(11)14(2)7-13-10/h7H,4-6H2,1-3H3,(H,12,16).
What are the key properties of 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide?
2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 308.79 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylimidazol-4-yl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 35305343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).