2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

C16H20ClN3O4S — CID 53195616

IUPAC2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C16H20ClN3O4S/c1-4-20(5-2)16(21)15-11(3)24-14(19-15)10-18-25(22,23)13-8-6-12(17)7-9-13/h6-9,18H,4-5,10H2,1-3H3
InChIKeyOZUFFICFNAMLIY-UHFFFAOYSA-N
MW385.87 g/mol
LogP2.60
Rot. Bonds7

About 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide

2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 53195616) has the molecular formula C16H20ClN3O4S and a molecular weight of 385.87 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID53195616
Molecular FormulaC16H20ClN3O4S
Molecular Weight385.87 g/mol
Exact Mass385.09
IUPAC Name2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
SMILESCCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C16H20ClN3O4S/c1-4-20(5-2)16(21)15-11(3)24-14(19-15)10-18-25(22,23)13-8-6-12(17)7-9-13/h6-9,18H,4-5,10H2,1-3H3
InChIKeyOZUFFICFNAMLIY-UHFFFAOYSA-N
XLogP2.60
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzamide
CID 68826106
2-[[(3,5-dimethylbenzoyl)amino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195598
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
N-(1,3-benzoxazol-2-ylmethyl)-4-chlorobenzenesulfonamide
CID 110711714
N,N-diethyl-5-methyl-2-[(quinoline-2-carbonylamino)methyl]-1,3-oxazole-4-carboxamide
CID 53195593
4-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 110714673
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-chlorobenzenesulfonamide
CID 122254003
3-[(4-chlorophenyl)methylsulfamoyl]-N,N-diethylbenzamide
CID 109064740
4-fluoro-3-methyl-N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzenesulfonamide
CID 53195560
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
N-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]propanamide
CID 86959815

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide (CID 53195616) is 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is CCN(CC)C(=O)c1nc(CNS(=O)(=O)c2ccc(Cl)cc2)oc1C.
What is the InChIKey of 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is OZUFFICFNAMLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4S/c1-4-20(5-2)16(21)15-11(3)24-14(19-15)10-18-25(22,23)13-8-6-12(17)7-9-13/h6-9,18H,4-5,10H2,1-3H3.
What are the key properties of 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide?
2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 385.87 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethyl-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53195616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).