4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide

C20H27N5O5S — CID 55741599

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C20H27N5O5S/c1-5-21-19(26)16-7-6-13(2)17(12-16)22-20(27)24-8-10-25(11-9-24)31(28,29)18-14(3)23-30-15(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyORMSRTLXQHXJMQ-UHFFFAOYSA-N
MW449.53 g/mol
LogP1.89
Rot. Bonds5

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide (PubChem CID 55741599) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide
PubChem CID55741599
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide
SMILESCCNC(=O)c1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
InChIInChI=1S/C20H27N5O5S/c1-5-21-19(26)16-7-6-13(2)17(12-16)22-20(27)24-8-10-25(11-9-24)31(28,29)18-14(3)23-30-15(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,26)(H,22,27)
InChIKeyORMSRTLXQHXJMQ-UHFFFAOYSA-N
XLogP1.89
TPSA124.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-[5-(ethylcarbamoyl)-2-methylphenyl]-4-(1,2,4-triazol-4-ylmethyl)piperidine-1-carboxamide
CID 136549708
N-tert-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carboxamide
CID 110811198
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 51274962
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
N-(3-chlorophenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carboxamide
CID 41429999
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methoxy-3-pyridinyl)-1,4-diazepane-1-carboxamide
CID 55744775
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(5-methylpyrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 56554719
ethyl 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoacetate
CID 110328637

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide (CID 55741599) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide is CCNC(=O)c1ccc(C)c(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide?
The InChIKey is ORMSRTLXQHXJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-5-21-19(26)16-7-6-13(2)17(12-16)22-20(27)24-8-10-25(11-9-24)31(28,29)18-14(3)23-30-15(18)4/h6-7,12H,5,8-11H2,1-4H3,(H,21,26)(H,22,27).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[5-(ethylcarbamoyl)-2-methylphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 55741599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).