2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide

C15H22N4O4S2 — CID 57395121

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C15H22N4O4S2/c1-6-16-15-18-17-14(24-15)8-10-7-11(22-4)12(23-5)9-13(10)25(20,21)19(2)3/h7,9H,6,8H2,1-5H3,(H,16,18)
InChIKeyMVNUPPANYPWPGK-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.83
Rot. Bonds8

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 57395121) has the molecular formula C15H22N4O4S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID57395121
Molecular FormulaC15H22N4O4S2
Molecular Weight386.50 g/mol
Exact Mass386.11
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1
InChIInChI=1S/C15H22N4O4S2/c1-6-16-15-18-17-14(24-15)8-10-7-11(22-4)12(23-5)9-13(10)25(20,21)19(2)3/h7,9H,6,8H2,1-5H3,(H,16,18)
InChIKeyMVNUPPANYPWPGK-UHFFFAOYSA-N
XLogP1.83
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide (CID 57395121) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide is CCNc1nnc(Cc2cc(OC)c(OC)cc2S(=O)(=O)N(C)C)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is MVNUPPANYPWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S2/c1-6-16-15-18-17-14(24-15)8-10-7-11(22-4)12(23-5)9-13(10)25(20,21)19(2)3/h7,9H,6,8H2,1-5H3,(H,16,18).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 386.50 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5-dimethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 57395121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).