2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide

C9H14ClN3O3S2 — CID 61051108

IUPAC2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-3-4-11-7(14)6-13(2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyGNWRUCRQJMPETR-UHFFFAOYSA-N
MW311.82 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide

2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide (PubChem CID 61051108) has the molecular formula C9H14ClN3O3S2 and a molecular weight of 311.82 g/mol. Its IUPAC name is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide
PubChem CID61051108
Molecular FormulaC9H14ClN3O3S2
Molecular Weight311.82 g/mol
Exact Mass311.02
IUPAC Name2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1
InChIInChI=1S/C9H14ClN3O3S2/c1-3-4-11-7(14)6-13(2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14)
InChIKeyGNWRUCRQJMPETR-UHFFFAOYSA-N
XLogP0.94
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide (CID 61051108) is 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)S(=O)(=O)c1cnc(Cl)s1.
What is the InChIKey of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide?
The InChIKey is GNWRUCRQJMPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3S2/c1-3-4-11-7(14)6-13(2)18(15,16)8-5-12-9(10)17-8/h5H,3-4,6H2,1-2H3,(H,11,14).
What are the key properties of 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide?
2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide has a molecular weight of 311.82 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1,3-thiazol-5-yl)sulfonyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 61051108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).