(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C17H19N3O3S2 — CID 50919178

IUPAC(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C17H19N3O3S2/c21-16(15-10-11-1-2-12(15)9-11)19-13-3-5-14(6-4-13)25(22,23)20-17-18-7-8-24-17/h3-8,11-12,15H,1-2,9-10H2,(H,18,20)(H,19,21)/t11-,12+,15+/m1/s1
InChIKeyOIRQYEJQVWXICR-XUJVJEKNSA-N
MW377.49 g/mol
LogP3.32
Rot. Bonds5

About (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 50919178) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID50919178
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C17H19N3O3S2/c21-16(15-10-11-1-2-12(15)9-11)19-13-3-5-14(6-4-13)25(22,23)20-17-18-7-8-24-17/h3-8,11-12,15H,1-2,9-10H2,(H,18,20)(H,19,21)/t11-,12+,15+/m1/s1
InChIKeyOIRQYEJQVWXICR-XUJVJEKNSA-N
XLogP3.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2933069
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601
(1R,6R)-6-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 28976910
N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]spiro[3.5]nonane-7-carboxamide
CID 70789381
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
1-(4-fluorobenzoyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223956
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119048
1-[(2-chlorophenyl)methyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 45007870
5-oxo-1-propan-2-yl-N-[4-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17119868

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 50919178) is (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is OIRQYEJQVWXICR-XUJVJEKNSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c21-16(15-10-11-1-2-12(15)9-11)19-13-3-5-14(6-4-13)25(22,23)20-17-18-7-8-24-17/h3-8,11-12,15H,1-2,9-10H2,(H,18,20)(H,19,21)/t11-,12+,15+/m1/s1.
What are the key properties of (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 50919178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).