[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate

C25H33NO4S — CID 10297231

IUPAC[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H33NO4S/c1-17(2)21-15-10-16-22(18(3)4)24(21)30-31(28,29)26-25(27)23(20-13-8-9-14-20)19-11-6-5-7-12-19/h5-7,10-12,15-18,20,23H,8-9,13-14H2,1-4H3,(H,26,27)
InChIKeyFOZRJHUQQPEXOV-UHFFFAOYSA-N
MW443.61 g/mol
LogP5.65
Rot. Bonds8

About [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate

[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate (PubChem CID 10297231) has the molecular formula C25H33NO4S and a molecular weight of 443.61 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate
PubChem CID10297231
Molecular FormulaC25H33NO4S
Molecular Weight443.61 g/mol
Exact Mass443.21
IUPAC Name[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate
SMILESCC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)C(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H33NO4S/c1-17(2)21-15-10-16-22(18(3)4)24(21)30-31(28,29)26-25(27)23(20-13-8-9-14-20)19-11-6-5-7-12-19/h5-7,10-12,15-18,20,23H,8-9,13-14H2,1-4H3,(H,26,27)
InChIKeyFOZRJHUQQPEXOV-UHFFFAOYSA-N
XLogP5.65
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.61
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
(2R)-2-cyclohexyl-2-phenylacetate
CID 6931336
[2,6-di(propan-2-yl)phenyl] N-[(E)-3-[2,4,6-tri(propan-2-yl)phenyl]prop-2-enoyl]sulfamate
CID 10207878
2-(1-cyclohexylethyl)benzoic acid
CID 115038988
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
(2R)-2-cyclopentyl-2-phenyl-N-[(R)-phenyl-(4-phenylphenyl)methyl]acetamide
CID 40909844
2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
N-[2,6-di(propan-2-yl)phenyl]cyclohexanecarboxamide
CID 729635

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate?
The IUPAC name of [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate (CID 10297231) is [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate.
What is the SMILES notation for [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate?
The canonical SMILES for [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate is CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)C(c1ccccc1)C1CCCC1.
What is the InChIKey of [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate?
The InChIKey is FOZRJHUQQPEXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO4S/c1-17(2)21-15-10-16-22(18(3)4)24(21)30-31(28,29)26-25(27)23(20-13-8-9-14-20)19-11-6-5-7-12-19/h5-7,10-12,15-18,20,23H,8-9,13-14H2,1-4H3,(H,26,27).
What are the key properties of [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate?
[2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate has a molecular weight of 443.61 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)phenyl] N-(2-cyclopentyl-2-phenylacetyl)sulfamate is sourced from PubChem (CID 10297231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).