N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide

C20H21N3O4S — CID 12618838

IUPACN-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ncc(N(c3ccccc3)C(C)C)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(2)23(16-7-5-4-6-8-16)18-13-21-20(27-18)19(24)22-28(25,26)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,24)
InChIKeyOARCJLHHSHWCJM-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.65
Rot. Bonds6

About N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide

N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide (PubChem CID 12618838) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide
PubChem CID12618838
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ncc(N(c3ccccc3)C(C)C)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-14(2)23(16-7-5-4-6-8-16)18-13-21-20(27-18)19(24)22-28(25,26)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,24)
InChIKeyOARCJLHHSHWCJM-UHFFFAOYSA-N
XLogP3.65
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide (CID 12618838) is N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide is Cc1ccc(S(=O)(=O)NC(=O)c2ncc(N(c3ccccc3)C(C)C)o2)cc1.
What is the InChIKey of N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide?
The InChIKey is OARCJLHHSHWCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-14(2)23(16-7-5-4-6-8-16)18-13-21-20(27-18)19(24)22-28(25,26)17-11-9-15(3)10-12-17/h4-14H,1-3H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide?
N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)sulfonyl-5-(N-propan-2-ylanilino)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 12618838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).