1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide

C26H27NO4S — CID 123439592

IUPAC1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CCS(C)(=O)=O)cc4)c3)CC2)cc1
InChIInChI=1S/C26H27NO4S/c1-31-24-12-10-22(11-13-24)26(15-16-26)25(28)27-23-5-3-4-21(18-23)20-8-6-19(7-9-20)14-17-32(2,29)30/h3-13,18H,14-17H2,1-2H3,(H,27,28)
InChIKeyWNYOODPNVSMTGR-UHFFFAOYSA-N
MW449.57 g/mol
LogP4.62
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide

1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 123439592) has the molecular formula C26H27NO4S and a molecular weight of 449.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide
PubChem CID123439592
Molecular FormulaC26H27NO4S
Molecular Weight449.57 g/mol
Exact Mass449.17
IUPAC Name1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CCS(C)(=O)=O)cc4)c3)CC2)cc1
InChIInChI=1S/C26H27NO4S/c1-31-24-12-10-22(11-13-24)26(15-16-26)25(28)27-23-5-3-4-21(18-23)20-8-6-19(7-9-20)14-17-32(2,29)30/h3-13,18H,14-17H2,1-2H3,(H,27,28)
InChIKeyWNYOODPNVSMTGR-UHFFFAOYSA-N
XLogP4.62
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[3-[4-(methanesulfonamidomethyl)phenyl]phenyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 59206248
4-[3-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]phenyl]benzenesulfinate
CID 59506677
1-(4-hydroxy-3-methoxyphenyl)-N-[3-(4-sulfanylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59664464
N-[6-[4-[2-[dihydroxy(methyl)-λ4-sulfanyl]ethyl]phenyl]-2-pyridinyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 159350527
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-(4-methoxyphenyl)-N-(4-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 113198528
4-[3-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]phenyl]benzenesulfinate;molecular hydrogen;[(2R)-pyrrolidin-2-yl]methanol
CID 159911261
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
1-[4-(2-methylsulfonylethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117114132
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198536
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide (CID 123439592) is 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide is COc1ccc(C2(C(=O)Nc3cccc(-c4ccc(CCS(C)(=O)=O)cc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is WNYOODPNVSMTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4S/c1-31-24-12-10-22(11-13-24)26(15-16-26)25(28)27-23-5-3-4-21(18-23)20-8-6-19(7-9-20)14-17-32(2,29)30/h3-13,18H,14-17H2,1-2H3,(H,27,28).
What are the key properties of 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide?
1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 449.57 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-[4-(2-methylsulfonylethyl)phenyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123439592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).