N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide

C16H19N3O4S — CID 24581040

IUPACN-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H19N3O4S/c1-10-15(11(2)23-19-10)24(21,22)17-9-12-4-3-5-14(8-12)18-16(20)13-6-7-13/h3-5,8,13,17H,6-7,9H2,1-2H3,(H,18,20)
InChIKeyFRYBUJVLNFCAFZ-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.12
Rot. Bonds6

About N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 24581040) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID24581040
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC NameN-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H19N3O4S/c1-10-15(11(2)23-19-10)24(21,22)17-9-12-4-3-5-14(8-12)18-16(20)13-6-7-13/h3-5,8,13,17H,6-7,9H2,1-2H3,(H,18,20)
InChIKeyFRYBUJVLNFCAFZ-UHFFFAOYSA-N
XLogP2.12
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978
N-[3-[(ethylsulfonylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47371741
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3387315
3,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazole-4-sulfonamide
CID 3863030
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethylphenyl)pyrrolidine-2-carboxamide
CID 17415195
N-[3-(cyclopropanecarbonylamino)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 38324737
N-(3-acetylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetamide
CID 110295792
N-(3-chlorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9042417
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide (CID 24581040) is N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide is Cc1noc(C)c1S(=O)(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is FRYBUJVLNFCAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10-15(11(2)23-19-10)24(21,22)17-9-12-4-3-5-14(8-12)18-16(20)13-6-7-13/h3-5,8,13,17H,6-7,9H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 349.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24581040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).