N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H22N4O2S2 — CID 3755113

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3nnc(C(C)(C)C)s3)cccc12
InChIInChI=1S/C18H22N4O2S2/c1-18(2,3)16-19-20-17(25-16)21-26(23,24)15-11-7-8-12-13(15)9-6-10-14(12)22(4)5/h6-11H,1-5H3,(H,20,21)
InChIKeyBLFMZAZQSWSXIS-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.86
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 3755113) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID3755113
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3nnc(C(C)(C)C)s3)cccc12
InChIInChI=1S/C18H22N4O2S2/c1-18(2,3)16-19-20-17(25-16)21-26(23,24)15-11-7-8-12-13(15)9-6-10-14(12)22(4)5/h6-11H,1-5H3,(H,20,21)
InChIKeyBLFMZAZQSWSXIS-UHFFFAOYSA-N
XLogP3.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 3755113) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3nnc(C(C)(C)C)s3)cccc12.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is BLFMZAZQSWSXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-18(2,3)16-19-20-17(25-16)21-26(23,24)15-11-7-8-12-13(15)9-6-10-14(12)22(4)5/h6-11H,1-5H3,(H,20,21).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 390.53 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 3755113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).