N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C21H26N2O3S — CID 30805403

IUPACN-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14-8-11-16(21(2,3)4)12-19(14)27(25,26)23-18-7-5-6-17(13-18)22-20(24)15-9-10-15/h5-8,11-13,15,23H,9-10H2,1-4H3,(H,22,24)
InChIKeyZTXRVGICJXITKS-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.44
Rot. Bonds5

About N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 30805403) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID30805403
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14-8-11-16(21(2,3)4)12-19(14)27(25,26)23-18-7-5-6-17(13-18)22-20(24)15-9-10-15/h5-8,11-13,15,23H,9-10H2,1-4H3,(H,22,24)
InChIKeyZTXRVGICJXITKS-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119730952
N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679353
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-1-sulfamoylpiperidine-4-carboxamide
CID 39899026
3-amino-N-[4-methyl-3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730951
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]pyrrolidine-3-carboxamide
CID 119675111
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]cyclobutanecarboxamide
CID 9243824
N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 47062824
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 30805403) is N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is ZTXRVGICJXITKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14-8-11-16(21(2,3)4)12-19(14)27(25,26)23-18-7-5-6-17(13-18)22-20(24)15-9-10-15/h5-8,11-13,15,23H,9-10H2,1-4H3,(H,22,24).
What are the key properties of N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 30805403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).