N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

C18H23N5O3S — CID 119042108

IUPACN-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCC(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H23N5O3S/c1-22-13-15(12-19-22)27(24,25)20-8-11-23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)26-18/h2-5,12-14,20H,6-11H2,1H3
InChIKeyOHOXLBDREUOULA-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.72
Rot. Bonds6

About N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide

N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 119042108) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID119042108
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC NameN-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCCN2CCC(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H23N5O3S/c1-22-13-15(12-19-22)27(24,25)20-8-11-23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)26-18/h2-5,12-14,20H,6-11H2,1H3
InChIKeyOHOXLBDREUOULA-UHFFFAOYSA-N
XLogP1.72
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
N-[2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 127377679
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(4-methylsulfonylphenyl)acetamide
CID 16577327
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide
CID 94025310
4-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-N-(2-cyanoethyl)benzenesulfonamide
CID 32758925
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 90655564
1-methyl-N-[2-(quinolin-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 56793271
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-benzylpiperidin-4-yl)propanamide
CID 55525539
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 71866461
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
CID 21008046
4-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]sulfonylaniline
CID 20983588

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide (CID 119042108) is N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCCN2CCC(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is OHOXLBDREUOULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-22-13-15(12-19-22)27(24,25)20-8-11-23-9-6-14(7-10-23)18-21-16-4-2-3-5-17(16)26-18/h2-5,12-14,20H,6-11H2,1H3.
What are the key properties of N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide?
N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 119042108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).