N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C22H25N3O5S — CID 18886845

IUPACN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H25N3O5S/c1-15-10-11-17(31(28,29)24-12-6-3-7-13-24)14-18(15)23-21(26)16(2)25-19-8-4-5-9-20(19)30-22(25)27/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,23,26)
InChIKeyMWEQLKUXAGKRMX-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.28
Rot. Bonds5

About N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 18886845) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID18886845
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC NameN-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)n1c(=O)oc2ccccc21
InChIInChI=1S/C22H25N3O5S/c1-15-10-11-17(31(28,29)24-12-6-3-7-13-24)14-18(15)23-21(26)16(2)25-19-8-4-5-9-20(19)30-22(25)27/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,23,26)
InChIKeyMWEQLKUXAGKRMX-UHFFFAOYSA-N
XLogP3.28
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 42933319
2-fluoro-N-[(2S)-3-methyl-1-(2-methyl-5-piperidin-1-ylsulfonylanilino)-1-oxobutan-2-yl]benzamide
CID 41141769
2-(2-fluorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4798645
(2R)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 7858761
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 18074440
3-acetamido-3-(2-chlorophenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 42962683
5-bromo-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 4878026
3-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1,3-benzoxazol-2-one
CID 42898184
1-methyl-3-(2-methyl-5-piperidin-1-ylsulfonylphenyl)thiourea
CID 7941210
6-[(4-acetyl-1,4-diazepan-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzoxazol-2-one
CID 16673813
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 26775491

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 18886845) is N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C(C)n1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is MWEQLKUXAGKRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-10-11-17(31(28,29)24-12-6-3-7-13-24)14-18(15)23-21(26)16(2)25-19-8-4-5-9-20(19)30-22(25)27/h4-5,8-11,14,16H,3,6-7,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 443.53 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 18886845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).