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

C16H20N4O3S2 — CID 1081046

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)12-7-6-11(2)13(10-12)25(22,23)20-8-4-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19,21)
InChIKeyCADZHTNZCUAQDY-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.45
Rot. Bonds5

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1081046) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1081046
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)s1
InChIInChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)12-7-6-11(2)13(10-12)25(22,23)20-8-4-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19,21)
InChIKeyCADZHTNZCUAQDY-UHFFFAOYSA-N
XLogP2.45
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 35865509
1-(2,5-dimethylphenyl)sulfonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 27234855
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 16549562
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 26210272
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 24529128
ethyl 2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 55333562
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46581642
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8503021
4-bromo-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2203626
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1081046) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is CCc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CADZHTNZCUAQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-3-14-18-19-16(24-14)17-15(21)12-7-6-11(2)13(10-12)25(22,23)20-8-4-5-9-20/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 380.50 g/mol, XLogP of 2.45, 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-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1081046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).