[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate

C26H30N2O5S — CID 175267615

IUPAC[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate
SMILESCC(C)ON(C(CCOC(N)=O)Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-28(24(17-18-32-26(27)29)19-21-9-5-3-6-10-21)34(30,31)25-15-13-23(14-16-25)22-11-7-4-8-12-22/h3-16,20,24H,17-19H2,1-2H3,(H2,27,29)
InChIKeyUECRDJYBQGIVBH-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.78
Rot. Bonds11

About [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate

[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate (PubChem CID 175267615) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate.

Molecular Properties

Compound Name[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate
PubChem CID175267615
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate
SMILESCC(C)ON(C(CCOC(N)=O)Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-28(24(17-18-32-26(27)29)19-21-9-5-3-6-10-21)34(30,31)25-15-13-23(14-16-25)22-11-7-4-8-12-22/h3-16,20,24H,17-19H2,1-2H3,(H2,27,29)
InChIKeyUECRDJYBQGIVBH-UHFFFAOYSA-N
XLogP4.78
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 69648028
CID 69648028
CID 69648029
CID 69648029
CID 117730963
CID 117730963

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate?
The IUPAC name of [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate (CID 175267615) is [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate.
What is the SMILES notation for [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate?
The canonical SMILES for [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate is CC(C)ON(C(CCOC(N)=O)Cc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate?
The InChIKey is UECRDJYBQGIVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-20(2)33-28(24(17-18-32-26(27)29)19-21-9-5-3-6-10-21)34(30,31)25-15-13-23(14-16-25)22-11-7-4-8-12-22/h3-16,20,24H,17-19H2,1-2H3,(H2,27,29).
What are the key properties of [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate?
[4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate has a molecular weight of 482.60 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]butyl] carbamate is sourced from PubChem (CID 175267615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).