(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide

C18H21N3O4S2 — CID 9086805

IUPAC(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-13-6-8-14(9-7-13)17(22)19-20-18(23)15-4-2-10-21(12-15)27(24,25)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyRCSLCYOCKTVPOF-OAHLLOKOSA-N
MW407.52 g/mol
LogP1.92
Rot. Bonds4

About (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide

(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide (PubChem CID 9086805) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
PubChem CID9086805
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC Name(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-13-6-8-14(9-7-13)17(22)19-20-18(23)15-4-2-10-21(12-15)27(24,25)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyRCSLCYOCKTVPOF-OAHLLOKOSA-N
XLogP1.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
(3R)-N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7410118
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
(3S)-N'-(2,5-dimethylfuran-3-carbonyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084948
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084777
N-(2,5-dimethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826177
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3R)-N-[(S)-(4-methylphenyl)-phenylmethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 37152907
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
N-cyclopropyl-2-oxo-2-[2-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)hydrazinyl]acetamide
CID 46628290
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107

Frequently Asked Questions

What is the IUPAC name of (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The IUPAC name of (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide (CID 9086805) is (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cc1.
What is the InChIKey of (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
The InChIKey is RCSLCYOCKTVPOF-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-13-6-8-14(9-7-13)17(22)19-20-18(23)15-4-2-10-21(12-15)27(24,25)16-5-3-11-26-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide?
(3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide has a molecular weight of 407.52 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N'-(4-methylbenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 9086805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).