1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide

C14H14BrN3O4S3 — CID 24665031

IUPAC1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C14H14BrN3O4S3/c15-11-5-6-12(24-11)25(21,22)18-7-1-3-9(18)13(19)16-17-14(20)10-4-2-8-23-10/h2,4-6,8-9H,1,3,7H2,(H,16,19)(H,17,20)
InChIKeyXPYZKHLYRNECPH-UHFFFAOYSA-N
MW464.39 g/mol
LogP2.19
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide

1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide (PubChem CID 24665031) has the molecular formula C14H14BrN3O4S3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
PubChem CID24665031
Molecular FormulaC14H14BrN3O4S3
Molecular Weight464.39 g/mol
Exact Mass462.93
IUPAC Name1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)s1)c1cccs1
InChIInChI=1S/C14H14BrN3O4S3/c15-11-5-6-12(24-11)25(21,22)18-7-1-3-9(18)13(19)16-17-14(20)10-4-2-8-23-10/h2,4-6,8-9H,1,3,7H2,(H,16,19)(H,17,20)
InChIKeyXPYZKHLYRNECPH-UHFFFAOYSA-N
XLogP2.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromothiophen-2-yl)sulfonylpyrrolidine-2-carboxylate
CID 4522839
(2R)-1-(5-bromothiophen-2-yl)sulfonyl-N-propylpyrrolidine-2-carboxamide
CID 32836178
[1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 43043075
1-(5-bromothiophen-2-yl)sulfonyl-N-(4-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 24627635
1-(5-bromothiophen-2-yl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidine-2-carboxamide
CID 24627371
N-cyclohexyl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 110285845
N-[4-[[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide
CID 25340618
(2S)-1-(5-bromothiophen-2-yl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 25493284
1-(5-bromothiophen-2-yl)sulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24627526
N-piperidin-4-yl-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119386114
5-bromo-N'-(cyclopropanecarbonyl)thiophene-2-carbohydrazide
CID 26662526
(2S)-N'-(4-methylsulfonylbenzoyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide
CID 39049673

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide (CID 24665031) is 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide is O=C(NNC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)s1)c1cccs1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide?
The InChIKey is XPYZKHLYRNECPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4S3/c15-11-5-6-12(24-11)25(21,22)18-7-1-3-9(18)13(19)16-17-14(20)10-4-2-8-23-10/h2,4-6,8-9H,1,3,7H2,(H,16,19)(H,17,20).
What are the key properties of 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide?
1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide has a molecular weight of 464.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)sulfonyl-N'-(thiophene-2-carbonyl)pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 24665031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).