N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

C21H28N4O5S — CID 46477648

IUPACN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C21H28N4O5S/c1-16-14-19(23-30-16)22-20(26)15-24(2)21(27)11-8-17-6-9-18(10-7-17)31(28,29)25-12-4-3-5-13-25/h6-7,9-10,14H,3-5,8,11-13,15H2,1-2H3,(H,22,23,26)
InChIKeySLJWNFWVFYURSQ-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.19
Rot. Bonds8

About N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide

N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 46477648) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID46477648
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC NameN-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cc(NC(=O)CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1
InChIInChI=1S/C21H28N4O5S/c1-16-14-19(23-30-16)22-20(26)15-24(2)21(27)11-8-17-6-9-18(10-7-17)31(28,29)25-12-4-3-5-13-25/h6-7,9-10,14H,3-5,8,11-13,15H2,1-2H3,(H,22,23,26)
InChIKeySLJWNFWVFYURSQ-UHFFFAOYSA-N
XLogP2.19
TPSA112.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 46487182
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7593941
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
N-methyl-N-(naphthalen-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 43024933
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27863741
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 55401896
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 35036483
N-[(3-chlorophenyl)methyl]-N-methyl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 27795278
(2S)-2-methyl-3-[methyl-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]amino]propanoic acid
CID 97234343
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 24660737
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide (CID 46477648) is N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is Cc1cc(NC(=O)CN(C)C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)no1.
What is the InChIKey of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SLJWNFWVFYURSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-16-14-19(23-30-16)22-20(26)15-24(2)21(27)11-8-17-6-9-18(10-7-17)31(28,29)25-12-4-3-5-13-25/h6-7,9-10,14H,3-5,8,11-13,15H2,1-2H3,(H,22,23,26).
What are the key properties of N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide?
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 448.55 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 46477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).