N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C18H21N3O3S2 — CID 131900052

IUPACN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N(C)CCc3scnc3C)c2)on1
InChIInChI=1S/C18H21N3O3S2/c1-12-5-6-15(16-9-13(2)20-24-16)10-18(12)26(22,23)21(4)8-7-17-14(3)19-11-25-17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUHDRNKDSZNFERE-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.59
Rot. Bonds6

About N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 131900052) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID131900052
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC NameN,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)N(C)CCc3scnc3C)c2)on1
InChIInChI=1S/C18H21N3O3S2/c1-12-5-6-15(16-9-13(2)20-24-16)10-18(12)26(22,23)21(4)8-7-17-14(3)19-11-25-17/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUHDRNKDSZNFERE-UHFFFAOYSA-N
XLogP3.59
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 131900052) is N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)N(C)CCc3scnc3C)c2)on1.
What is the InChIKey of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is UHDRNKDSZNFERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c1-12-5-6-15(16-9-13(2)20-24-16)10-18(12)26(22,23)21(4)8-7-17-14(3)19-11-25-17/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 131900052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).