N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide

C15H15N3O3S2 — CID 167823833

IUPACN-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)C12CC1C2
InChIInChI=1S/C15H15N3O3S2/c19-13(15-7-11(15)8-15)17-9-10-1-3-12(4-2-10)23(20,21)18-14-16-5-6-22-14/h1-6,11H,7-9H2,(H,16,18)(H,17,19)
InChIKeyIOTYOCMSCGALKP-UHFFFAOYSA-N
MW349.44 g/mol
LogP1.97
Rot. Bonds6

About N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide

N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167823833) has the molecular formula C15H15N3O3S2 and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167823833
Molecular FormulaC15H15N3O3S2
Molecular Weight349.44 g/mol
Exact Mass349.06
IUPAC NameN-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)C12CC1C2
InChIInChI=1S/C15H15N3O3S2/c19-13(15-7-11(15)8-15)17-9-10-1-3-12(4-2-10)23(20,21)18-14-16-5-6-22-14/h1-6,11H,7-9H2,(H,16,18)(H,17,19)
InChIKeyIOTYOCMSCGALKP-UHFFFAOYSA-N
XLogP1.97
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide with MolForge

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Related Compounds

4-(2-chloroethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28719509
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
4-[(4-aminophenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 71580375
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
4-benzylsulfonyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 87471470
4-[2-(propan-2-ylamino)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031784
N-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487305
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2933069
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide (CID 167823833) is N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide is O=C(NCc1ccc(S(=O)(=O)Nc2nccs2)cc1)C12CC1C2.
What is the InChIKey of N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is IOTYOCMSCGALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S2/c19-13(15-7-11(15)8-15)17-9-10-1-3-12(4-2-10)23(20,21)18-14-16-5-6-22-14/h1-6,11H,7-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167823833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).