N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide

C16H19N3O3S2 — CID 139011765

IUPACN-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)c2ncsc2-c2ccccc2)C1
InChIInChI=1S/C16H19N3O3S2/c1-2-18-24(21,22)13-8-9-19(10-13)16(20)14-15(23-11-17-14)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3
InChIKeyQAJPTILBMDVTLQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide

N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide (PubChem CID 139011765) has the molecular formula C16H19N3O3S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
PubChem CID139011765
Molecular FormulaC16H19N3O3S2
Molecular Weight365.48 g/mol
Exact Mass365.09
IUPAC NameN-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide
SMILESCCNS(=O)(=O)C1CCN(C(=O)c2ncsc2-c2ccccc2)C1
InChIInChI=1S/C16H19N3O3S2/c1-2-18-24(21,22)13-8-9-19(10-13)16(20)14-15(23-11-17-14)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3
InChIKeyQAJPTILBMDVTLQ-UHFFFAOYSA-N
XLogP1.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(ethylsulfamoyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120552033
N-ethyl-1-(5-methyl-1,3,4-thiadiazole-2-carbonyl)pyrrolidine-3-sulfonamide
CID 154738206
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513
(3R)-N-ethyl-1-(2-methylpropanoyl)pyrrolidine-3-sulfonamide
CID 97158472
3-(benzylsulfamoyl)pyrrolidine-1-carboxylic acid
CID 69113749
N-[2-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420720
N',N'-diethyl-5-phenyl-1,3-thiazole-4-carbohydrazide
CID 174643362
(3R)-3-(benzenesulfonyl)-N-ethylpyrrolidine-1-carboxamide
CID 97414974
[2-(2-phenylethynyl)piperidin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 175714419
1-[2-[3-(ethylsulfamoyl)pyrrolidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120552013
benzyl (3R)-3-[(5-ethylthiophen-2-yl)methylsulfamoyl]pyrrolidine-1-carboxylate
CID 124736213
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide (CID 139011765) is N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide is CCNS(=O)(=O)C1CCN(C(=O)c2ncsc2-c2ccccc2)C1.
What is the InChIKey of N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide?
The InChIKey is QAJPTILBMDVTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S2/c1-2-18-24(21,22)13-8-9-19(10-13)16(20)14-15(23-11-17-14)12-6-4-3-5-7-12/h3-7,11,13,18H,2,8-10H2,1H3.
What are the key properties of N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide?
N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-phenyl-1,3-thiazole-4-carbonyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 139011765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).