N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

C19H20N4O4S2 — CID 17192732

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-27-15-7-9-16(10-8-15)29(25,26)20-12-11-17(24)21-19-23-22-18(28-19)13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,23,24)
InChIKeyCZFSMRAHIYAAKF-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.44
Rot. Bonds9

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (PubChem CID 17192732) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
PubChem CID17192732
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1
InChIInChI=1S/C19H20N4O4S2/c1-27-15-7-9-16(10-8-15)29(25,26)20-12-11-17(24)21-19-23-22-18(28-19)13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,23,24)
InChIKeyCZFSMRAHIYAAKF-UHFFFAOYSA-N
XLogP2.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide (CID 17192732) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)NCCC(=O)Nc2nnc(Cc3ccccc3)s2)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
The InChIKey is CZFSMRAHIYAAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-27-15-7-9-16(10-8-15)29(25,26)20-12-11-17(24)21-19-23-22-18(28-19)13-14-5-3-2-4-6-14/h2-10,20H,11-13H2,1H3,(H,21,23,24).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide has a molecular weight of 432.53 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 17192732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).