N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

C21H27N3O4S — CID 50822402

IUPACN-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-14-19(15(2)28-23-14)29(26,27)24-18-10-8-16(9-11-18)21(12-13-21)20(25)22-17-6-4-3-5-7-17/h8-11,17,24H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyKWVBXDGGYSXWSQ-UHFFFAOYSA-N
MW417.53 g/mol
LogP3.57
Rot. Bonds6

About N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide

N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (PubChem CID 50822402) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
PubChem CID50822402
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-14-19(15(2)28-23-14)29(26,27)24-18-10-8-16(9-11-18)21(12-13-21)20(25)22-17-6-4-3-5-7-17/h8-11,17,24H,3-7,12-13H2,1-2H3,(H,22,25)
InChIKeyKWVBXDGGYSXWSQ-UHFFFAOYSA-N
XLogP3.57
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-(4-methylcyclohexyl)-1-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971641
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
N-cyclopropyl-1-[4-[(2-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822156
N-cycloheptyl-1-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061943
1-(4-acetamidophenyl)-N-cycloheptylcyclohexane-1-carboxamide
CID 53110342
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide (CID 50822402) is N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(C2(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
The InChIKey is KWVBXDGGYSXWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-14-19(15(2)28-23-14)29(26,27)24-18-10-8-16(9-11-18)21(12-13-21)20(25)22-17-6-4-3-5-7-17/h8-11,17,24H,3-7,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide?
N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 50822402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).