N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide

C21H18N4O3S2 — CID 2141404

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)s1
InChIInChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)18-11-9-17(10-12-18)22-20(26)16-8-7-14-5-3-4-6-15(14)13-16/h3-13H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyPCAKRNYXPIAZJE-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.31
Rot. Bonds6

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide (PubChem CID 2141404) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
PubChem CID2141404
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)s1
InChIInChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)18-11-9-17(10-12-18)22-20(26)16-8-7-14-5-3-4-6-15(14)13-16/h3-13H,2H2,1H3,(H,22,26)(H,24,25)
InChIKeyPCAKRNYXPIAZJE-UHFFFAOYSA-N
XLogP4.31
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide (CID 2141404) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide is CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4ccccc4c3)cc2)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is PCAKRNYXPIAZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-2-19-23-24-21(29-19)25-30(27,28)18-11-9-17(10-12-18)22-20(26)16-8-7-14-5-3-4-6-15(14)13-16/h3-13H,2H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 2141404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).