N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide

C22H24N2O4S — CID 9394899

IUPACN-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1)C1CCC1
InChIInChI=1S/C22H24N2O4S/c25-21(15-3-1-4-15)23-17-7-11-19(12-8-17)29(27,28)20-13-9-18(10-14-20)24-22(26)16-5-2-6-16/h7-16H,1-6H2,(H,23,25)(H,24,26)
InChIKeyKSCTUEIEZLGTHJ-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide

N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide (PubChem CID 9394899) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
PubChem CID9394899
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1)C1CCC1
InChIInChI=1S/C22H24N2O4S/c25-21(15-3-1-4-15)23-17-7-11-19(12-8-17)29(27,28)20-13-9-18(10-14-20)24-22(26)16-5-2-6-16/h7-16H,1-6H2,(H,23,25)(H,24,26)
InChIKeyKSCTUEIEZLGTHJ-UHFFFAOYSA-N
XLogP4.00
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylsulfonylphenyl)cyclobutanecarboxamide
CID 110778740
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
4-(cyclopropanecarbonylamino)benzenesulfonyl chloride
CID 16774559
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
3-amino-N-(4-methylsulfonylphenyl)cyclohexane-1-carboxamide
CID 63042501
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 41491961
N-[4-(cycloheptylamino)phenyl]cyclobutanecarboxamide
CID 112985012

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide (CID 9394899) is N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C3CCC3)cc2)cc1)C1CCC1.
What is the InChIKey of N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide?
The InChIKey is KSCTUEIEZLGTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c25-21(15-3-1-4-15)23-17-7-11-19(12-8-17)29(27,28)20-13-9-18(10-14-20)24-22(26)16-5-2-6-16/h7-16H,1-6H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide?
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide has a molecular weight of 412.51 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide is sourced from PubChem (CID 9394899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).