N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C25H30N4O5S — CID 38932262

IUPACN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H30N4O5S/c1-28-13-15-29(16-14-28)35(31,32)20-11-12-22(33-2)21(17-20)27-24(30)9-6-10-25-26-18-23(34-25)19-7-4-3-5-8-19/h3-5,7-8,11-12,17-18H,6,9-10,13-16H2,1-2H3,(H,27,30)
InChIKeyIOZGACKAERRGIM-UHFFFAOYSA-N
MW498.61 g/mol
LogP3.25
Rot. Bonds9

About N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38932262) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38932262
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H30N4O5S/c1-28-13-15-29(16-14-28)35(31,32)20-11-12-22(33-2)21(17-20)27-24(30)9-6-10-25-26-18-23(34-25)19-7-4-3-5-8-19/h3-5,7-8,11-12,17-18H,6,9-10,13-16H2,1-2H3,(H,27,30)
InChIKeyIOZGACKAERRGIM-UHFFFAOYSA-N
XLogP3.25
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2-methoxydibenzofuran-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38898960
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N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-3-phenylpropanamide
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CID 38000923
3-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
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CID 29495927
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-thiophen-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38932262) is N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is IOZGACKAERRGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-28-13-15-29(16-14-28)35(31,32)20-11-12-22(33-2)21(17-20)27-24(30)9-6-10-25-26-18-23(34-25)19-7-4-3-5-8-19/h3-5,7-8,11-12,17-18H,6,9-10,13-16H2,1-2H3,(H,27,30).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 498.61 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38932262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).