N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide

C20H25N3O5S2 — CID 47062824

IUPACN-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C20H25N3O5S2/c1-12-10-13(2)19(14(3)18(12)23-29(4,25)26)30(27,28)22-17-7-5-6-16(11-17)21-20(24)15-8-9-15/h5-7,10-11,15,22-23H,8-9H2,1-4H3,(H,21,24)
InChIKeyCXBWYLKUCIJARW-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.13
Rot. Bonds7

About N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 47062824) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID47062824
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC NameN-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C20H25N3O5S2/c1-12-10-13(2)19(14(3)18(12)23-29(4,25)26)30(27,28)22-17-7-5-6-16(11-17)21-20(24)15-8-9-15/h5-7,10-11,15,22-23H,8-9H2,1-4H3,(H,21,24)
InChIKeyCXBWYLKUCIJARW-UHFFFAOYSA-N
XLogP3.13
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
3-(methanesulfonamido)-2,4,6-trimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 60532916
N-[3-[(5-tert-butyl-2-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 30805403
N-[3-[(3-hydroxyphenyl)sulfamoyl]-2,4,6-trimethylphenyl]acetamide
CID 2996267
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-(cyclopropanecarbonylamino)phenyl]-2-(methanesulfonamido)benzamide
CID 55585903
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide (CID 47062824) is N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide is Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CC3)c2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is CXBWYLKUCIJARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-12-10-13(2)19(14(3)18(12)23-29(4,25)26)30(27,28)22-17-7-5-6-16(11-17)21-20(24)15-8-9-15/h5-7,10-11,15,22-23H,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 451.57 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(methanesulfonamido)-2,4,6-trimethylphenyl]sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47062824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).