N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen

C25H30N2O3S — CID 157089921

IUPACN-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H26N2O3S.2H2/c1-26-31(29,30)23-14-12-19(13-15-23)20-8-7-11-22(18-20)27-24(28)25(16-5-6-17-25)21-9-3-2-4-10-21;;/h2-4,7-15,18,26H,5-6,16-17H2,1H3,(H,27,28);2*1H
InChIKeyAENVHJLTVQCWNZ-UHFFFAOYSA-N
MW438.59 g/mol
LogP5.20
Rot. Bonds6

About N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen

N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen (PubChem CID 157089921) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
PubChem CID157089921
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen
SMILESCNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.[H][H].[H][H]
InChIInChI=1S/C25H26N2O3S.2H2/c1-26-31(29,30)23-14-12-19(13-15-23)20-8-7-11-22(18-20)27-24(28)25(16-5-6-17-25)21-9-3-2-4-10-21;;/h2-4,7-15,18,26H,5-6,16-17H2,1H3,(H,27,28);2*1H
InChIKeyAENVHJLTVQCWNZ-UHFFFAOYSA-N
XLogP5.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.59
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161492116
N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]-1-phenylcyclohexane-1-carboxamide;molecular hydrogen
CID 159191136
1-(7-chloro-1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158438443
N-(3-nitrophenyl)-1-phenylcyclopentane-1-carboxamide
CID 1108208
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
4-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenyl]benzenesulfinate
CID 59506677
1-(3-acetylphenyl)sulfonyl-N-[3-(4-bromophenyl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 166353400
2-[3-[(1-phenylcyclopentanecarbonyl)amino]phenyl]acetic acid
CID 119352047
N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879
N-(3-nitrophenyl)-1-phenylcyclopropane-1-carboxamide
CID 16558552
1-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119293957
ethyl 3-[(1-phenylcyclopentanecarbonyl)amino]benzoate
CID 4162614

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen (CID 157089921) is N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen is CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1.[H][H].[H][H].
What is the InChIKey of N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen?
The InChIKey is AENVHJLTVQCWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3S.2H2/c1-26-31(29,30)23-14-12-19(13-15-23)20-8-7-11-22(18-20)27-24(28)25(16-5-6-17-25)21-9-3-2-4-10-21;;/h2-4,7-15,18,26H,5-6,16-17H2,1H3,(H,27,28);2*1H.
What are the key properties of N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen?
N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen has a molecular weight of 438.59 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(methylsulfamoyl)phenyl]phenyl]-1-phenylcyclopentane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157089921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).