N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C15H18N4O3S2 — CID 1428544

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C15H18N4O3S2/c1-2-13-17-18-15(23-13)16-14(20)11-5-7-12(8-6-11)24(21,22)19-9-3-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,18,20)
InChIKeyCEDGKMHQKMNIMD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.14
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1428544) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1428544
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1
InChIInChI=1S/C15H18N4O3S2/c1-2-13-17-18-15(23-13)16-14(20)11-5-7-12(8-6-11)24(21,22)19-9-3-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,18,20)
InChIKeyCEDGKMHQKMNIMD-UHFFFAOYSA-N
XLogP2.14
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1428544) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CEDGKMHQKMNIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-2-13-17-18-15(23-13)16-14(20)11-5-7-12(8-6-11)24(21,22)19-9-3-4-10-19/h5-8H,2-4,9-10H2,1H3,(H,16,18,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).