1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide

C17H16N4O3S2 — CID 122161510

IUPAC1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C17H16N4O3S2/c22-26(23,12-15-14-4-1-2-5-17(14)24-20-15)19-10-16(13-6-9-25-11-13)21-8-3-7-18-21/h1-9,11,16,19H,10,12H2
InChIKeyPRYPNYQMXGUAHC-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.79
Rot. Bonds7

About 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide (PubChem CID 122161510) has the molecular formula C17H16N4O3S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide
PubChem CID122161510
Molecular FormulaC17H16N4O3S2
Molecular Weight388.47 g/mol
Exact Mass388.07
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C17H16N4O3S2/c22-26(23,12-15-14-4-1-2-5-17(14)24-20-15)19-10-16(13-6-9-25-11-13)21-8-3-7-18-21/h1-9,11,16,19H,10,12H2
InChIKeyPRYPNYQMXGUAHC-UHFFFAOYSA-N
XLogP2.79
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)methanesulfonamide
CID 126852474
1-(1,2-benzoxazol-3-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]methanesulfonamide
CID 122264891
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
5-chloro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161506
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-[[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methyl]methanesulfonamide
CID 129338694
1-(1,2-benzoxazol-3-yl)-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanesulfonamide
CID 90624665
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
2-(4-propan-2-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)acetamide
CID 122244459
1-(1,2-benzoxazol-3-yl)-N-(4-methylpiperazin-1-yl)methanesulfonamide
CID 90624542

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide (CID 122161510) is 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCC(c1ccsc1)n1cccn1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide?
The InChIKey is PRYPNYQMXGUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S2/c22-26(23,12-15-14-4-1-2-5-17(14)24-20-15)19-10-16(13-6-9-25-11-13)21-8-3-7-18-21/h1-9,11,16,19H,10,12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)methanesulfonamide is sourced from PubChem (CID 122161510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).