1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene

C27H33N3O3S — CID 23160987

IUPAC1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene
SMILESCOc1cccc(C2(CNS(N)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H33N3O3S/c1-33-26-9-5-8-24(18-26)27(20-30-34(28,31)32)16-14-25(15-17-27)29-19-21-10-12-23(13-11-21)22-6-3-2-4-7-22/h2-13,18,25,29-30H,14-17,19-20H2,1H3,(H2,28,31,32)
InChIKeyDTDVWHSPBGNJPP-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.13
Rot. Bonds9

About 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene

1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene (PubChem CID 23160987) has the molecular formula C27H33N3O3S and a molecular weight of 479.65 g/mol. Its IUPAC name is 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene
PubChem CID23160987
Molecular FormulaC27H33N3O3S
Molecular Weight479.65 g/mol
Exact Mass479.22
IUPAC Name1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene
SMILESCOc1cccc(C2(CNS(N)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1
InChIInChI=1S/C27H33N3O3S/c1-33-26-9-5-8-24(18-26)27(20-30-34(28,31)32)16-14-25(15-17-27)29-19-21-10-12-23(13-11-21)22-6-3-2-4-7-22/h2-13,18,25,29-30H,14-17,19-20H2,1H3,(H2,28,31,32)
InChIKeyDTDVWHSPBGNJPP-UHFFFAOYSA-N
XLogP4.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene?
The IUPAC name of 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene (CID 23160987) is 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene.
What is the SMILES notation for 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene?
The canonical SMILES for 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene is COc1cccc(C2(CNS(N)(=O)=O)CCC(NCc3ccc(-c4ccccc4)cc3)CC2)c1.
What is the InChIKey of 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene?
The InChIKey is DTDVWHSPBGNJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3S/c1-33-26-9-5-8-24(18-26)27(20-30-34(28,31)32)16-14-25(15-17-27)29-19-21-10-12-23(13-11-21)22-6-3-2-4-7-22/h2-13,18,25,29-30H,14-17,19-20H2,1H3,(H2,28,31,32).
What are the key properties of 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene?
1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene has a molecular weight of 479.65 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[4-[(4-phenylphenyl)methylamino]-1-[(sulfamoylamino)methyl]cyclohexyl]benzene is sourced from PubChem (CID 23160987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).