benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate

C26H30N2O5S — CID 67159223

IUPACbenzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
SMILESCC(C)Oc1cc(S(=O)(=O)NCCCNC(=O)OCc2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-25-18-23(14-15-24(25)22-12-7-4-8-13-22)34(30,31)28-17-9-16-27-26(29)32-19-21-10-5-3-6-11-21/h3-8,10-15,18,20,28H,9,16-17,19H2,1-2H3,(H,27,29)
InChIKeyANZGLQHYADSCMF-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.74
Rot. Bonds11

About benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate

benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate (PubChem CID 67159223) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
PubChem CID67159223
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Namebenzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate
SMILESCC(C)Oc1cc(S(=O)(=O)NCCCNC(=O)OCc2ccccc2)ccc1-c1ccccc1
InChIInChI=1S/C26H30N2O5S/c1-20(2)33-25-18-23(14-15-24(25)22-12-7-4-8-13-22)34(30,31)28-17-9-16-27-26(29)32-19-21-10-5-3-6-11-21/h3-8,10-15,18,20,28H,9,16-17,19H2,1-2H3,(H,27,29)
InChIKeyANZGLQHYADSCMF-UHFFFAOYSA-N
XLogP4.74
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-[(4-chlorophenyl)sulfonylamino]propyl]carbamate
CID 172676297
(2R)-N-hydroxy-4-[(2-phenylacetyl)amino]-2-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]butanamide
CID 87292071
benzyl N-[3-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]propyl]carbamate
CID 25101903
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[2-[4-(ethylsulfamoyl)-2-methylphenoxy]ethyl]carbamate
CID 110315530
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-[4-[3-[2-[2-[3-(phenylmethoxycarbonylamino)propoxy]ethoxy]ethoxy]propylsulfamoyl]phenyl]phenyl]sulfonylamino]butanoic acid
CID 90969225
benzyl N-[(2S)-1-[[3-[(3,4-dimethoxyphenyl)sulfonylamino]-2-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 20585997
tert-butyl (2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 165151783
benzyl N-(6-methylheptyl)carbamate
CID 59918495
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate?
The IUPAC name of benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate (CID 67159223) is benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate.
What is the SMILES notation for benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate?
The canonical SMILES for benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate is CC(C)Oc1cc(S(=O)(=O)NCCCNC(=O)OCc2ccccc2)ccc1-c1ccccc1.
What is the InChIKey of benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate?
The InChIKey is ANZGLQHYADSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-20(2)33-25-18-23(14-15-24(25)22-12-7-4-8-13-22)34(30,31)28-17-9-16-27-26(29)32-19-21-10-5-3-6-11-21/h3-8,10-15,18,20,28H,9,16-17,19H2,1-2H3,(H,27,29).
What are the key properties of benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate?
benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate has a molecular weight of 482.60 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(4-phenyl-3-propan-2-yloxyphenyl)sulfonylamino]propyl]carbamate is sourced from PubChem (CID 67159223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).